(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C18H16F2N2O2 — CID 2372506

IUPAC(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H16F2N2O2/c19-14-6-7-16(15(20)9-14)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24)/t13-/m0/s1
InChIKeyQRSPSGQBETXDJR-ZDUSSCGKSA-N
MW330.33 g/mol
LogP2.95
Rot. Bonds4

About (3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2372506) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2372506
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H16F2N2O2/c19-14-6-7-16(15(20)9-14)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24)/t13-/m0/s1
InChIKeyQRSPSGQBETXDJR-ZDUSSCGKSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9097492
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7774556
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596
1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 25331872
N-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45132865
(3R)-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8865073
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044
N-(2,4-difluorophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184474
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 2372506) is (3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(F)cc1F)[C@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QRSPSGQBETXDJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c19-14-6-7-16(15(20)9-14)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24)/t13-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2372506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).