(3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C18H13Cl2F3N2O2 — CID 1102170

IUPAC(3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H13Cl2F3N2O2/c19-12-2-4-13(5-3-12)25-9-10(7-16(25)26)17(27)24-15-8-11(18(21,22)23)1-6-14(15)20/h1-6,8,10H,7,9H2,(H,24,27)/t10-/m1/s1
InChIKeyJMTJIUKHQHJISO-SNVBAGLBSA-N
MW417.21 g/mol
LogP5.00
Rot. Bonds3

About (3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 1102170) has the molecular formula C18H13Cl2F3N2O2 and a molecular weight of 417.21 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID1102170
Molecular FormulaC18H13Cl2F3N2O2
Molecular Weight417.21 g/mol
Exact Mass416.03
IUPAC Name(3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H13Cl2F3N2O2/c19-12-2-4-13(5-3-12)25-9-10(7-16(25)26)17(27)24-15-8-11(18(21,22)23)1-6-14(15)20/h1-6,8,10H,7,9H2,(H,24,27)/t10-/m1/s1
InChIKeyJMTJIUKHQHJISO-SNVBAGLBSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.21
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7297853
(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260278
(3R)-1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1103942
N-(2,5-dichlorophenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791026
N-(2,5-dichlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43049525
(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7299277
1-(3-chloro-4-methylphenyl)-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84987956
(3R)-1-[4-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40976956
1-(4-chlorophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55873020
1-(4-tert-butylphenyl)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187278
N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188760
N-(2-chlorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122127

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 1102170) is (3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JMTJIUKHQHJISO-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O2/c19-12-2-4-13(5-3-12)25-9-10(7-16(25)26)17(27)24-15-8-11(18(21,22)23)1-6-14(15)20/h1-6,8,10H,7,9H2,(H,24,27)/t10-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 417.21 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1102170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).