(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide

C19H19FN2O3 — CID 51606138

IUPAC(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C19H19FN2O3/c1-25-16-8-3-7-15(12-16)21-18(23)17-9-4-10-22(17)19(24)13-5-2-6-14(20)11-13/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyKOVALGIKFURNGQ-KRWDZBQOSA-N
MW342.37 g/mol
LogP3.08
Rot. Bonds4

About (2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide

(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 51606138) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID51606138
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C19H19FN2O3/c1-25-16-8-3-7-15(12-16)21-18(23)17-9-4-10-22(17)19(24)13-5-2-6-14(20)11-13/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyKOVALGIKFURNGQ-KRWDZBQOSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606152
(2R)-1-[3-[(3-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92895040
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide (CID 51606138) is (2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide is COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(F)c2)c1.
What is the InChIKey of (2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is KOVALGIKFURNGQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-16-8-3-7-15(12-16)21-18(23)17-9-4-10-22(17)19(24)13-5-2-6-14(20)11-13/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide?
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51606138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).