2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide

C18H17ClN2O2 — CID 110357668

IUPAC2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c19-14-8-4-9-15(12-14)20-18(23)21-11-5-10-16(21)17(22)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11H2,(H,20,23)
InChIKeySUDTYSYNLWRNPC-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.22
Rot. Bonds3

About 2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide

2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide (PubChem CID 110357668) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
PubChem CID110357668
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c19-14-8-4-9-15(12-14)20-18(23)21-11-5-10-16(21)17(22)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11H2,(H,20,23)
InChIKeySUDTYSYNLWRNPC-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1468971
(2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51508333
(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1445734
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856073
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
(2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636964
[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 176902068
(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 51508255

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide (CID 110357668) is 2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide is O=C(c1ccccc1)C1CCCN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is SUDTYSYNLWRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-14-8-4-9-15(12-14)20-18(23)21-11-5-10-16(21)17(22)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11H2,(H,20,23).
What are the key properties of 2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide?
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110357668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).