(3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H13Cl2FN2O2 — CID 124529079

IUPAC(3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H13Cl2FN2O2/c18-13-2-1-3-14(16(13)19)22-9-10(8-15(22)23)17(24)21-12-6-4-11(20)5-7-12/h1-7,10H,8-9H2,(H,21,24)/t10-/m0/s1
InChIKeyKEOMUGFVIOFIFB-JTQLQIEISA-N
MW367.21 g/mol
LogP4.12
Rot. Bonds3

About (3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124529079) has the molecular formula C17H13Cl2FN2O2 and a molecular weight of 367.21 g/mol. Its IUPAC name is (3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124529079
Molecular FormulaC17H13Cl2FN2O2
Molecular Weight367.21 g/mol
Exact Mass366.03
IUPAC Name(3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H13Cl2FN2O2/c18-13-2-1-3-14(16(13)19)22-9-10(8-15(22)23)17(24)21-12-6-4-11(20)5-7-12/h1-7,10H,8-9H2,(H,21,24)/t10-/m0/s1
InChIKeyKEOMUGFVIOFIFB-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)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381
1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
(3R)-1-(3-chloro-2-methylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523156
4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056533
1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113191387
(3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529112
1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191409
(3R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529126
(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529134
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-N-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056525
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 124529079) is (3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1.
What is the InChIKey of (3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KEOMUGFVIOFIFB-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13Cl2FN2O2/c18-13-2-1-3-14(16(13)19)22-9-10(8-15(22)23)17(24)21-12-6-4-11(20)5-7-12/h1-7,10H,8-9H2,(H,21,24)/t10-/m0/s1.
What are the key properties of (3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2,3-dichlorophenyl)-N-(4-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)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124529079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).