3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide

C13H16ClF3N2O — CID 62623936

IUPAC3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O/c1-8(2)19-12(20)5-6-18-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7-8,18H,5-6H2,1-2H3,(H,19,20)
InChIKeyIZDFTGJGCRIFDB-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.69
Rot. Bonds5

About 3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide

3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide (PubChem CID 62623936) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
PubChem CID62623936
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O/c1-8(2)19-12(20)5-6-18-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7-8,18H,5-6H2,1-2H3,(H,19,20)
InChIKeyIZDFTGJGCRIFDB-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.69
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-(3-methylbutyl)propanamide
CID 109031971
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
4-[4-chloro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63892047
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 109018886
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-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 61229010
4-chloro-N-(4-methylpentyl)-3-(trifluoromethyl)aniline
CID 83155392
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 109015962
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
CID 109020364

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide (CID 62623936) is 3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
The InChIKey is IZDFTGJGCRIFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-8(2)19-12(20)5-6-18-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7-8,18H,5-6H2,1-2H3,(H,19,20).
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide has a molecular weight of 308.73 g/mol, XLogP of 3.69, 5 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-propan-2-ylpropanamide is sourced from PubChem (CID 62623936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).