3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide

C22H25ClF3NO2 — CID 100784565

IUPAC3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C22H25ClF3NO2/c1-14(2)13-29-19-10-9-17(11-18(19)22(24,25)26)27-20(28)21(3,4)12-15-5-7-16(23)8-6-15/h5-11,14H,12-13H2,1-4H3,(H,27,28)
InChIKeyMBQYVZWWJKTMBQ-UHFFFAOYSA-N
MW427.89 g/mol
LogP6.60
Rot. Bonds7

About 3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide

3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 100784565) has the molecular formula C22H25ClF3NO2 and a molecular weight of 427.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide
PubChem CID100784565
Molecular FormulaC22H25ClF3NO2
Molecular Weight427.89 g/mol
Exact Mass427.15
IUPAC Name3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C22H25ClF3NO2/c1-14(2)13-29-19-10-9-17(11-18(19)22(24,25)26)27-20(28)21(3,4)12-15-5-7-16(23)8-6-15/h5-11,14H,12-13H2,1-4H3,(H,27,28)
InChIKeyMBQYVZWWJKTMBQ-UHFFFAOYSA-N
XLogP6.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.89
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide 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

3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 100782698
4-(4-chlorophenyl)-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 100784348
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide
CID 100784108
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
methyl 2-(2-methylpropoxy)-5-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 100750408
methyl 4-(2-methylpropoxy)-3-(trifluoromethyl)benzoate
CID 169061075
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide
CID 100751118
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide
CID 100784401
3-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2,2-dimethylpropanamide
CID 100782715
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
(2S)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764483

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide (CID 100784565) is 3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide is CC(C)COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MBQYVZWWJKTMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF3NO2/c1-14(2)13-29-19-10-9-17(11-18(19)22(24,25)26)27-20(28)21(3,4)12-15-5-7-16(23)8-6-15/h5-11,14H,12-13H2,1-4H3,(H,27,28).
What are the key properties of 3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide?
3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 427.89 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 100784565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).