2-Fluoro-N-phenylbenzamide

CAT: 0127-PC1006013-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1006013-01Size:250 mg

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CAS Number

1747-80-4

MDL Number

MFCD00454563

Purity

95%

Smiles

O=C(NC1=CC=CC=C1)C2=CC=CC=C2F

Chemical Information

2-fluoro-N-phenylbenzamide

CAS Number	1747-80-4
PubChem CID	242890
IUPAC Name	2-fluoro-N-phenylbenzamide
Molecular Formula	C13H10FNO
Molecular Weight	215.22
XLogP	3.2
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	238

SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C13H10FNO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)

InChIKey

LFYRRNCQLJGEGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1747-80-4

CID: 242890

Formula: C13H10FNO

MW: 215.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.22
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.074642105
Monoisotopic Mass	215.074642105
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238
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
PC1026895-01	4-Fluoro-N-phenylbenzamide
PC1006762-01	3-Fluoro-N-phenylbenzamide
PC1007122-01	2-Amino-5-fluoro-N-phenylbenzamide
PC8029	2-Bromo-5-fluoro-N-phenylbenzamide
PC53421-01	2-Fluoro-6-nitro-N-phenylbenzamide
OR1030011-01	2-Hydroxy-N-Phenylbenzamide
OR1564-01	2-Amino-N-phenylbenzamide
OR11124	N-Phenylbenzamide
OR1003936-01	2-Chloro-N-phenylbenzamide
OR1002828-01	2-Methoxy-N-phenylbenzamide

Catalog	Name
415340-01	2-Amino-6-fluoro-N-phenylbenzamide
sc-261701	4-Borono-2-fluoro-N-phenylbenzamide
sc-262410	5-Borono-2-fluoro-N-phenylbenzamide
418020-01	2-Fluoro-6-nitro-N-phenylbenzamide
465280-01	S-2- (2-Aminobutanamido) -6-fluoro-N-phenylbenzamide
TRC-A602835-100MG	(S)-2-(2-Aminobutanamido)-6-fluoro-N-phenylbenzamide
sc-260715	3-Borono-4-fluoro-N-phenylbenzamide
PDK0404	N-Phenylbenzamide
sc-335079	2-amino-N-phenylbenzamide
FI66357-01	2-Iodo-N-phenylbenzamide