(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide

C18H16F2N2O2 — CID 51605341

IUPAC(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@H]1CCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H16F2N2O2/c19-13-5-1-4-12(10-13)18(24)22-9-3-8-16(22)17(23)21-15-7-2-6-14(20)11-15/h1-2,4-7,10-11,16H,3,8-9H2,(H,21,23)/t16-/m1/s1
InChIKeyCZICNQSORLGGMA-MRXNPFEDSA-N
MW330.33 g/mol
LogP3.21
Rot. Bonds3

About (2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide

(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 51605341) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is (2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID51605341
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@H]1CCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H16F2N2O2/c19-13-5-1-4-12(10-13)18(24)22-9-3-8-16(22)17(23)21-15-7-2-6-14(20)11-15/h1-2,4-7,10-11,16H,3,8-9H2,(H,21,23)/t16-/m1/s1
InChIKeyCZICNQSORLGGMA-MRXNPFEDSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138
(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606152
(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51606131
(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92895034
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92668317
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052
(2R)-1-[3-[(3-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92895040
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide (CID 51605341) is (2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(F)c1)[C@H]1CCCN1C(=O)c1cccc(F)c1.
What is the InChIKey of (2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is CZICNQSORLGGMA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c19-13-5-1-4-12(10-13)18(24)22-9-3-8-16(22)17(23)21-15-7-2-6-14(20)11-15/h1-2,4-7,10-11,16H,3,8-9H2,(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide?
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51605341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).