2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide

C16H11ClF6N2O — CID 109009821

IUPAC2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11ClF6N2O/c17-13-6-5-11(7-12(13)16(21,22)23)24-8-14(26)25-10-3-1-9(2-4-10)15(18,19)20/h1-7,24H,8H2,(H,25,26)
InChIKeyKGFAJYWUDKHNAS-UHFFFAOYSA-N
MW396.72 g/mol
LogP5.43
Rot. Bonds4

About 2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 109009821) has the molecular formula C16H11ClF6N2O and a molecular weight of 396.72 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID109009821
Molecular FormulaC16H11ClF6N2O
Molecular Weight396.72 g/mol
Exact Mass396.05
IUPAC Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11ClF6N2O/c17-13-6-5-11(7-12(13)16(21,22)23)24-8-14(26)25-10-3-1-9(2-4-10)15(18,19)20/h1-7,24H,8H2,(H,25,26)
InChIKeyKGFAJYWUDKHNAS-UHFFFAOYSA-N
XLogP5.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.72
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide 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-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-ethylphenyl)acetamide
CID 109007711
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109008828
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266
2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009815
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 109009821) is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KGFAJYWUDKHNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6N2O/c17-13-6-5-11(7-12(13)16(21,22)23)24-8-14(26)25-10-3-1-9(2-4-10)15(18,19)20/h1-7,24H,8H2,(H,25,26).
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 396.72 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 109009821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).