Benzoylprop-ethyl

CAT: 0024-sc-257139Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-257139Size:100 mg

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CAS Number

22212-55-1

Chemical Information

Benzoylprop-ethyl

Benzoylprop-ethyl is a member of benzamides.

CAS Number	22212-55-1
PubChem CID	31068
IUPAC Name	ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate
Molecular Formula	C18H17Cl2NO3
Molecular Weight	366.2
XLogP	4.1
Topological Polar Surface Area	46.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	440

SMILES

CCOC(=O)C(C)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3

InChIKey

SLCGUGMPSUYJAY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22212-55-1

CID: 31068

Formula: C18H17Cl2NO3

MW: 366.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	366.2
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	365.0585488
Monoisotopic Mass	365.0585488
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	440
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-353430A	Ethyl 2-ethyl-5-nitronicotinate
sc-486835	Ethyl 2-ethyl-2-methylacetoacetate
sc-307902	(2-Ethoxy-ethyl) -ethyl-amine
sc-353430	Ethyl 2-ethyl-5-nitronicotinate
sc-287132A	1-Ethyl-3-methylpyridinium Ethyl Sulfate
sc-327319	Ethyl 3-[ethyl (methyl) amino]butanoate
sc-237545	1-Ethyl-3-methylimidazolium ethyl sulfate
sc-294494A	Ethyl (S) - (-) -1-Ethyl-2-pyrrolidinecarboxylate
sc-487106	Ethyl (R) - (+) -1-ethyl-2-pyrrolidinecarboxylate
sc-287132	1-Ethyl-3-methylpyridinium Ethyl Sulfate

Catalog	Name
442399-01	Benzoylprop-ethyl
XAA21256	Benzoylprop
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
AAA10633-01	Ethyl Laurate (Ethyl Dodecanoate)
TRC-E937355-2.5G	Ethyl Phthalyl Ethyl Glycolate
RG-A261999-01	Ethyl Ethyl-D-Prolinate
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)
OR1057866-01	Ethyl ethyl (methyl) carbamate
105440 2.5	Ethyl Chloroformate (Ethyl Chlorocarbonate)
106-33-2	Ethyl dodecanoate (Ethyl laurate)