N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide

C18H16ClFN2O2 — CID 46748924

IUPACN-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C18H16ClFN2O2/c19-12-7-9-13(10-8-12)21-17(23)16-6-3-11-22(16)18(24)14-4-1-2-5-15(14)20/h1-2,4-5,7-10,16H,3,6,11H2,(H,21,23)
InChIKeyLIZXGBZGFDAYIN-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.72
Rot. Bonds3

About N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide

N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 46748924) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID46748924
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC NameN-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C18H16ClFN2O2/c19-12-7-9-13(10-8-12)21-17(23)16-6-3-11-22(16)18(24)14-4-1-2-5-15(14)20/h1-2,4-5,7-10,16H,3,6,11H2,(H,21,23)
InChIKeyLIZXGBZGFDAYIN-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

(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 42948700
(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606058
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
(2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 35369256
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 42194479
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
(2R)-N-(4-chlorophenyl)-1-(methylcarbamothioyl)pyrrolidine-2-carboxamide
CID 899037
N-(4-chlorophenyl)-5-[1-(2-fluorobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072169

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide (CID 46748924) is N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN1C(=O)c1ccccc1F.
What is the InChIKey of N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is LIZXGBZGFDAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-12-7-9-13(10-8-12)21-17(23)16-6-3-11-22(16)18(24)14-4-1-2-5-15(14)20/h1-2,4-5,7-10,16H,3,6,11H2,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-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 N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46748924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).