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

C18H16ClFN2O2 — CID 35369256

IUPAC(2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C18H16ClFN2O2/c19-15-11-12(20)8-9-14(15)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)/t16-/m0/s1
InChIKeyUCAWVXGBJCVSKW-INIZCTEOSA-N
MW346.79 g/mol
LogP3.72
Rot. Bonds3

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

(2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide (PubChem CID 35369256) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is (2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
PubChem CID35369256
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name(2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C18H16ClFN2O2/c19-15-11-12(20)8-9-14(15)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)/t16-/m0/s1
InChIKeyUCAWVXGBJCVSKW-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-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 42948700
(2R)-N-benzyl-1-[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049744
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924
(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
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
2-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371047
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 90585615
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide (CID 35369256) is (2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of (2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is UCAWVXGBJCVSKW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-15-11-12(20)8-9-14(15)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)/t16-/m0/s1.
What are the key properties of (2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide?
(2S)-1-(2-chloro-4-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 (2S)-1-(2-chloro-4-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 35369256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).