(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

C18H16ClFN2O2 — CID 92664892

IUPAC(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O2/c19-13-9-7-12(8-10-13)18(24)22-11-3-6-16(22)17(23)21-15-5-2-1-4-14(15)20/h1-2,4-5,7-10,16H,3,6,11H2,(H,21,23)/t16-/m0/s1
InChIKeyCJJHVMGAWWAAHV-INIZCTEOSA-N
MW346.79 g/mol
LogP3.72
Rot. Bonds3

About (2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 92664892) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is (2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID92664892
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O2/c19-13-9-7-12(8-10-13)18(24)22-11-3-6-16(22)17(23)21-15-5-2-1-4-14(15)20/h1-2,4-5,7-10,16H,3,6,11H2,(H,21,23)/t16-/m0/s1
InChIKeyCJJHVMGAWWAAHV-INIZCTEOSA-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

1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51606131
1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 46756263
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924
(2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92664975
1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 46756268
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3230233
(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide (CID 92664892) is (2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is CJJHVMGAWWAAHV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-13-9-7-12(8-10-13)18(24)22-11-3-6-16(22)17(23)21-15-5-2-1-4-14(15)20/h1-2,4-5,7-10,16H,3,6,11H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)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 (2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92664892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).