2-Benzoylacetanilide

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CAS Number

85-99-4

Synonyms

N- (2-Benzoylphenyl) acetamide

MDL Number

MFCD00442710

Purity

=95%

Smiles

CC(=O)Nc1ccccc1C(=O)c2ccccc2

Chemical Information

2'-Benzoylacetanilide

CAS Number	85-99-4
PubChem CID	97474
IUPAC Name	N-(2-benzoylphenyl)acetamide
Molecular Formula	C15H13NO2
Molecular Weight	239.27
XLogP	3.2
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	308

SMILES

CC(=O)NC1=CC=CC=C1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H13NO2/c1-11(17)16-14-10-6-5-9-13(14)15(18)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,17)

InChIKey

MRXZRJQRQWTKIX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 85-99-4

CID: 97474

Formula: C15H13NO2

MW: 239.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.27
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	239.094628657
Monoisotopic Mass	239.094628657
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
PC1016533-01	2- (2,2,2-trifluoroacetyl) benzaldehyde
PC1004953-01	2- (2,2,2-Trifluoroethyl) thiophene
PC1002721-01	2,2,2-Trifluoroethyl 2-bromoacetate
PC500837	2- (2,2,2-Trifluoroethoxy) acetophenone
PC500830	2- (2,2,2-Trifluoroethoxy) benzonitrile
PC49356-01	2,2,2,2',6'-Pentafluoroacetophenone
PC501722-01	2,2,2,2',4'-Pentafluoroacetophenone

Catalog	Name
sc-225167	2-Benzoylacetanilide
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
022261	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
MBS6024187-01	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
AR-B06674-01	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) Benzoate
BLG-H038-005	2′,2”,2”’,2””,2””’,2”””-Hexa-F-c-hexadAMP
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate
FB15824-01	2,2-Bis (hydroxymethyl) -2,2',2''-nitrilotriethanol
TRC-E945925-1G	Ethyl 2-(2,2,2-trifluoroethyl)-2-propenoate