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

C14H18ClF3N2O — CID 109012712

IUPAC3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O/c1-9(2)8-20-13(21)5-6-19-10-3-4-12(15)11(7-10)14(16,17)18/h3-4,7,9,19H,5-6,8H2,1-2H3,(H,20,21)
InChIKeyBDZRPDPGPQKZOY-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.93
Rot. Bonds6

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

3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide (PubChem CID 109012712) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide
PubChem CID109012712
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O/c1-9(2)8-20-13(21)5-6-19-10-3-4-12(15)11(7-10)14(16,17)18/h3-4,7,9,19H,5-6,8H2,1-2H3,(H,20,21)
InChIKeyBDZRPDPGPQKZOY-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
CID 109031971
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 109018886
4-[4-chloro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63892047
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
4-chloro-N-(4-methylpentyl)-3-(trifluoromethyl)aniline
CID 83155392
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 109015962
tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387744
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
CID 60721760

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide (CID 109012712) is 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide?
The InChIKey is BDZRPDPGPQKZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-9(2)8-20-13(21)5-6-19-10-3-4-12(15)11(7-10)14(16,17)18/h3-4,7,9,19H,5-6,8H2,1-2H3,(H,20,21).
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide?
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide has a molecular weight of 322.76 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 109012712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).