4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride

C16H24ClF3N2O — CID 120562077

IUPAC4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(c1cccc(C(F)(F)F)c1)C(C)C.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-10(2)15(21-14(22)8-7-11(3)20)12-5-4-6-13(9-12)16(17,18)19;/h4-6,9-11,15H,7-8,20H2,1-3H3,(H,21,22);1H
InChIKeyZAPHLOWASQLYEE-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.07
Rot. Bonds6

About 4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride

4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride (PubChem CID 120562077) has the molecular formula C16H24ClF3N2O and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
PubChem CID120562077
Molecular FormulaC16H24ClF3N2O
Molecular Weight352.83 g/mol
Exact Mass352.15
IUPAC Name4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(c1cccc(C(F)(F)F)c1)C(C)C.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-10(2)15(21-14(22)8-7-11(3)20)12-5-4-6-13(9-12)16(17,18)19;/h4-6,9-11,15H,7-8,20H2,1-3H3,(H,21,22);1H
InChIKeyZAPHLOWASQLYEE-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562152
3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 120610313
(2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide
CID 124849209
N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
CID 51107956
4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66099186
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 119316444
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(2S)-2-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315304

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride (CID 120562077) is 4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride is CC(N)CCC(=O)NC(c1cccc(C(F)(F)F)c1)C(C)C.Cl.
What is the InChIKey of 4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride?
The InChIKey is ZAPHLOWASQLYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O.ClH/c1-10(2)15(21-14(22)8-7-11(3)20)12-5-4-6-13(9-12)16(17,18)19;/h4-6,9-11,15H,7-8,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride?
4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride is sourced from PubChem (CID 120562077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).