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

C19H15ClF4N2O3 — CID 71879533

IUPAC1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1=O
InChIInChI=1S/C19H15ClF4N2O3/c1-29-16-5-2-11(20)7-15(16)26-9-10(6-17(26)27)18(28)25-14-4-3-12(21)8-13(14)19(22,23)24/h2-5,7-8,10H,6,9H2,1H3,(H,25,28)
InChIKeyJHSWPKYTLCXQEV-UHFFFAOYSA-N
MW430.79 g/mol
LogP4.50
Rot. Bonds4

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

1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 71879533) has the molecular formula C19H15ClF4N2O3 and a molecular weight of 430.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID71879533
Molecular FormulaC19H15ClF4N2O3
Molecular Weight430.79 g/mol
Exact Mass430.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1=O
InChIInChI=1S/C19H15ClF4N2O3/c1-29-16-5-2-11(20)7-15(16)26-9-10(6-17(26)27)18(28)25-14-4-3-12(21)8-13(14)19(22,23)24/h2-5,7-8,10H,6,9H2,1H3,(H,25,28)
InChIKeyJHSWPKYTLCXQEV-UHFFFAOYSA-N
XLogP4.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.79
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 26360848
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
(3R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51933901
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
N-(2,5-difluorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51158561
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 55636737
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260423
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide
CID 55331707
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191025
1-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78866862

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 71879533) is 1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JHSWPKYTLCXQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF4N2O3/c1-29-16-5-2-11(20)7-15(16)26-9-10(6-17(26)27)18(28)25-14-4-3-12(21)8-13(14)19(22,23)24/h2-5,7-8,10H,6,9H2,1H3,(H,25,28).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 430.79 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71879533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).