2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide

C18H19ClN2O2 — CID 17179030

IUPAC2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-2-20-18(23)14-8-4-6-10-16(14)21-17(22)12-11-13-7-3-5-9-15(13)19/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyXKXZQNSMQWRCLI-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.66
Rot. Bonds6

About 2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide

2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide (PubChem CID 17179030) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
PubChem CID17179030
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-2-20-18(23)14-8-4-6-10-16(14)21-17(22)12-11-13-7-3-5-9-15(13)19/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyXKXZQNSMQWRCLI-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
CID 110606723
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040
N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 17179013
methyl 3-[3-(2-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 56543246
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17179057
2-[[2-(2-chlorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29456122
3-(2-chlorophenyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 17179018
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339136
2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide
CID 4949332

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide?
The IUPAC name of 2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide (CID 17179030) is 2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide is CCNC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl.
What is the InChIKey of 2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide?
The InChIKey is XKXZQNSMQWRCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-2-20-18(23)14-8-4-6-10-16(14)21-17(22)12-11-13-7-3-5-9-15(13)19/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide?
2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide is sourced from PubChem (CID 17179030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).