1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide

C18H16ClFN2O2 — CID 42948700

IUPAC1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H16ClFN2O2/c19-12-8-9-14(15(20)11-12)18(24)22-10-4-7-16(22)17(23)21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,21,23)
InChIKeyOXWDCOHVIAYTOT-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide

1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide (PubChem CID 42948700) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
PubChem CID42948700
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H16ClFN2O2/c19-12-8-9-14(15(20)11-12)18(24)22-10-4-7-16(22)17(23)21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,21,23)
InChIKeyOXWDCOHVIAYTOT-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924
(2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 35369256
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606058
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide (CID 42948700) is 1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide is O=C(Nc1ccccc1)C1CCCN1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is OXWDCOHVIAYTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-12-8-9-14(15(20)11-12)18(24)22-10-4-7-16(22)17(23)21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,21,23).
What are the key properties of 1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide?
1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 346.79 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42948700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).