1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide

C19H19ClN2O2 — CID 46756268

IUPAC1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-13-15(20)9-5-10-16(13)21-18(23)17-11-6-12-22(17)19(24)14-7-3-2-4-8-14/h2-5,7-10,17H,6,11-12H2,1H3,(H,21,23)
InChIKeyASXOGJHESLGOKV-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.89
Rot. Bonds3

About 1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide

1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 46756268) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID46756268
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-13-15(20)9-5-10-16(13)21-18(23)17-11-6-12-22(17)19(24)14-7-3-2-4-8-14/h2-5,7-10,17H,6,11-12H2,1H3,(H,21,23)
InChIKeyASXOGJHESLGOKV-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 46756263
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827
(2S)-N-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40972131
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51606131
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide (CID 46756268) is 1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide is Cc1c(Cl)cccc1NC(=O)C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ASXOGJHESLGOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-15(20)9-5-10-16(13)21-18(23)17-11-6-12-22(17)19(24)14-7-3-2-4-8-14/h2-5,7-10,17H,6,11-12H2,1H3,(H,21,23).
What are the key properties of 1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide?
1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46756268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).