(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H13Cl2FN2O2 — CID 124529003

IUPAC(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C17H13Cl2FN2O2/c18-11-6-12(19)8-13(7-11)21-17(24)10-5-16(23)22(9-10)15-4-2-1-3-14(15)20/h1-4,6-8,10H,5,9H2,(H,21,24)/t10-/m0/s1
InChIKeyUDVHJBUGUJZWKV-JTQLQIEISA-N
MW367.21 g/mol
LogP4.12
Rot. Bonds3

About (3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124529003) has the molecular formula C17H13Cl2FN2O2 and a molecular weight of 367.21 g/mol. Its IUPAC name is (3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124529003
Molecular FormulaC17H13Cl2FN2O2
Molecular Weight367.21 g/mol
Exact Mass366.03
IUPAC Name(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C17H13Cl2FN2O2/c18-11-6-12(19)8-13(7-11)21-17(24)10-5-16(23)22(9-10)15-4-2-1-3-14(15)20/h1-4,6-8,10H,5,9H2,(H,21,24)/t10-/m0/s1
InChIKeyUDVHJBUGUJZWKV-JTQLQIEISA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
N-(4-chloro-3-cyanophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55480879
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55674511
(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1331284
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
1-(2-fluorophenyl)-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 51176548
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55358717
(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 124529003) is (3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of (3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UDVHJBUGUJZWKV-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13Cl2FN2O2/c18-11-6-12(19)8-13(7-11)21-17(24)10-5-16(23)22(9-10)15-4-2-1-3-14(15)20/h1-4,6-8,10H,5,9H2,(H,21,24)/t10-/m0/s1.
What are the key properties of (3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.21 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124529003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).