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

C20H18ClF3N2O2 — CID 3278427

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1C
InChIInChI=1S/C20H18ClF3N2O2/c1-11-3-5-15(7-12(11)2)26-10-13(8-18(26)27)19(28)25-17-9-14(20(22,23)24)4-6-16(17)21/h3-7,9,13H,8,10H2,1-2H3,(H,25,28)
InChIKeyFNIVTKLRINNHER-UHFFFAOYSA-N
MW410.82 g/mol
LogP4.97
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3278427) has the molecular formula C20H18ClF3N2O2 and a molecular weight of 410.82 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3278427
Molecular FormulaC20H18ClF3N2O2
Molecular Weight410.82 g/mol
Exact Mass410.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1C
InChIInChI=1S/C20H18ClF3N2O2/c1-11-3-5-15(7-12(11)2)26-10-13(8-18(26)27)19(28)25-17-9-14(20(22,23)24)4-6-16(17)21/h3-7,9,13H,8,10H2,1-2H3,(H,25,28)
InChIKeyFNIVTKLRINNHER-UHFFFAOYSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.82
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3278427) is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1C.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FNIVTKLRINNHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N2O2/c1-11-3-5-15(7-12(11)2)26-10-13(8-18(26)27)19(28)25-17-9-14(20(22,23)24)4-6-16(17)21/h3-7,9,13H,8,10H2,1-2H3,(H,25,28).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 410.82 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3278427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).