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

C15H20ClF3N2O — CID 109031971

IUPAC3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H20ClF3N2O/c1-10(2)5-7-21-14(22)6-8-20-11-3-4-13(16)12(9-11)15(17,18)19/h3-4,9-10,20H,5-8H2,1-2H3,(H,21,22)
InChIKeyURBLYKWCCIJATF-UHFFFAOYSA-N
MW336.79 g/mol
LogP4.32
Rot. Bonds7

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

3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide (PubChem CID 109031971) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
PubChem CID109031971
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC Name3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H20ClF3N2O/c1-10(2)5-7-21-14(22)6-8-20-11-3-4-13(16)12(9-11)15(17,18)19/h3-4,9-10,20H,5-8H2,1-2H3,(H,21,22)
InChIKeyURBLYKWCCIJATF-UHFFFAOYSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide
CID 109012712
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
4-chloro-N-(4-methylpentyl)-3-(trifluoromethyl)aniline
CID 83155392
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 109018886
4-[4-chloro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63892047
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
CID 60671349
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]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125237

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide (CID 109031971) is 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide?
The InChIKey is URBLYKWCCIJATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2O/c1-10(2)5-7-21-14(22)6-8-20-11-3-4-13(16)12(9-11)15(17,18)19/h3-4,9-10,20H,5-8H2,1-2H3,(H,21,22).
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide?
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide has a molecular weight of 336.79 g/mol, XLogP of 4.32, 7 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 109031971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).