(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C17H14F2N2O2 — CID 40978656

IUPAC(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H14F2N2O2/c18-14-7-6-12(9-15(14)19)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,20,23)/t11-/m0/s1
InChIKeyDBFQRCJSNSUWKE-NSHDSACASA-N
MW316.31 g/mol
LogP2.96
Rot. Bonds3

About (3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 40978656) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is (3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID40978656
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H14F2N2O2/c18-14-7-6-12(9-15(14)19)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,20,23)/t11-/m0/s1
InChIKeyDBFQRCJSNSUWKE-NSHDSACASA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3-chloro-4-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350589
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
N-(3,4-difluorophenyl)-1-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189711
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153830
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 3146264
1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186941

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 40978656) is (3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is DBFQRCJSNSUWKE-NSHDSACASA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-14-7-6-12(9-15(14)19)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,20,23)/t11-/m0/s1.
What are the key properties of (3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 40978656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).