N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide

C22H20ClF3N2O2 — CID 46301204

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1c(=O)cc(C)c2cccc(C)c21
InChIInChI=1S/C22H20ClF3N2O2/c1-4-18(21(30)27-17-11-14(22(24,25)26)8-9-16(17)23)28-19(29)10-13(3)15-7-5-6-12(2)20(15)28/h5-11,18H,4H2,1-3H3,(H,27,30)
InChIKeyCAWXIMRJKPHASI-UHFFFAOYSA-N
MW436.86 g/mol
LogP5.88
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide (PubChem CID 46301204) has the molecular formula C22H20ClF3N2O2 and a molecular weight of 436.86 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
PubChem CID46301204
Molecular FormulaC22H20ClF3N2O2
Molecular Weight436.86 g/mol
Exact Mass436.12
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1c(=O)cc(C)c2cccc(C)c21
InChIInChI=1S/C22H20ClF3N2O2/c1-4-18(21(30)27-17-11-14(22(24,25)26)8-9-16(17)23)28-19(29)10-13(3)15-7-5-6-12(2)20(15)28/h5-11,18H,4H2,1-3H3,(H,27,30)
InChIKeyCAWXIMRJKPHASI-UHFFFAOYSA-N
XLogP5.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.86
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 46301245
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 46301197
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide
CID 46301191
N-(2,5-dimethoxyphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301526
2-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 65225734
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000084
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 94011805
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94020173
2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113168967
N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119011
(2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide
CID 92887510

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide (CID 46301204) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide is CCC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1c(=O)cc(C)c2cccc(C)c21.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide?
The InChIKey is CAWXIMRJKPHASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O2/c1-4-18(21(30)27-17-11-14(22(24,25)26)8-9-16(17)23)28-19(29)10-13(3)15-7-5-6-12(2)20(15)28/h5-11,18H,4H2,1-3H3,(H,27,30).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide has a molecular weight of 436.86 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide is sourced from PubChem (CID 46301204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).