N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide

C17H16ClF3N2O — CID 109038626

IUPACN-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
SMILESCc1ccc(NC(=O)CCNc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C17H16ClF3N2O/c1-11-6-7-12(10-14(11)18)23-16(24)8-9-22-15-5-3-2-4-13(15)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyJIAMIOIMTPLAFV-UHFFFAOYSA-N
MW356.78 g/mol
LogP5.11
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide

N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide (PubChem CID 109038626) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
PubChem CID109038626
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC NameN-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
SMILESCc1ccc(NC(=O)CCNc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C17H16ClF3N2O/c1-11-6-7-12(10-14(11)18)23-16(24)8-9-22-15-5-3-2-4-13(15)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyJIAMIOIMTPLAFV-UHFFFAOYSA-N
XLogP5.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.78
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]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

[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286490
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798
3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453
N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109040680
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109040694
3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037309
N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
CID 109038664
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
N-(3,4-dimethylphenyl)-3-(2-methylanilino)propanamide
CID 109034069

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide (CID 109038626) is N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide is Cc1ccc(NC(=O)CCNc2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The InChIKey is JIAMIOIMTPLAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c1-11-6-7-12(10-14(11)18)23-16(24)8-9-22-15-5-3-2-4-13(15)17(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide has a molecular weight of 356.78 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109038626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).