1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide

C21H23ClN2O2 — CID 119070931

IUPAC1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2cccc(-c3ccc(Cl)cc3C)c2)C1
InChIInChI=1S/C21H23ClN2O2/c1-3-23-20(25)17-9-10-24(13-17)21(26)16-6-4-5-15(12-16)19-8-7-18(22)11-14(19)2/h4-8,11-12,17H,3,9-10,13H2,1-2H3,(H,23,25)
InChIKeyJKHAWUHDCNLPET-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.91
Rot. Bonds4

About 1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide

1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide (PubChem CID 119070931) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide
PubChem CID119070931
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2cccc(-c3ccc(Cl)cc3C)c2)C1
InChIInChI=1S/C21H23ClN2O2/c1-3-23-20(25)17-9-10-24(13-17)21(26)16-6-4-5-15(12-16)19-8-7-18(22)11-14(19)2/h4-8,11-12,17H,3,9-10,13H2,1-2H3,(H,23,25)
InChIKeyJKHAWUHDCNLPET-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide
CID 125178146
(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide
CID 125169662
(3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide
CID 126440042
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide
CID 131901390
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007275
1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 113003453
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178
(3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide
CID 97141170

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide (CID 119070931) is 1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)C1CCN(C(=O)c2cccc(-c3ccc(Cl)cc3C)c2)C1.
What is the InChIKey of 1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is JKHAWUHDCNLPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-3-23-20(25)17-9-10-24(13-17)21(26)16-6-4-5-15(12-16)19-8-7-18(22)11-14(19)2/h4-8,11-12,17H,3,9-10,13H2,1-2H3,(H,23,25).
What are the key properties of 1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide?
1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119070931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).