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

C17H16ClF3N2O — CID 109018886

IUPACN-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccccc1
InChIInChI=1S/C17H16ClF3N2O/c18-15-7-6-13(10-14(15)17(19,20)21)22-9-8-16(24)23-11-12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2,(H,23,24)
InChIKeyKPSVSICBULMGGK-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.48
Rot. Bonds6

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

N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide (PubChem CID 109018886) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
PubChem CID109018886
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC NameN-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccccc1
InChIInChI=1S/C17H16ClF3N2O/c18-15-7-6-13(10-14(15)17(19,20)21)22-9-8-16(24)23-11-12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2,(H,23,24)
InChIKeyKPSVSICBULMGGK-UHFFFAOYSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 108945335
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide
CID 109012712
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
CID 109031971
N-benzyl-3-(3,5-dichloroanilino)propanamide
CID 109018893
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 109020527
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019889
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 109015962

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide (CID 109018886) is N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide is O=C(CCNc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is KPSVSICBULMGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c18-15-7-6-13(10-14(15)17(19,20)21)22-9-8-16(24)23-11-12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2,(H,23,24).
What are the key properties of N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide?
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 356.78 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109018886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).