(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide

C19H19FN2O2 — CID 92668196

IUPAC(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-8-10-14(11-9-13)21-18(23)17-7-4-12-22(17)19(24)15-5-2-3-6-16(15)20/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyZPNRDVYALKJWCS-KRWDZBQOSA-N
MW326.37 g/mol
LogP3.38
Rot. Bonds3

About (2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide

(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 92668196) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID92668196
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-8-10-14(11-9-13)21-18(23)17-7-4-12-22(17)19(24)15-5-2-3-6-16(15)20/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyZPNRDVYALKJWCS-KRWDZBQOSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.38
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)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606058
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 42948700
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 2119678
(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 42194479
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide (CID 92668196) is (2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2F)cc1.
What is the InChIKey of (2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZPNRDVYALKJWCS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-8-10-14(11-9-13)21-18(23)17-7-4-12-22(17)19(24)15-5-2-3-6-16(15)20/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92668196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).