3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride

C13H18ClF3N2O — CID 119801858

IUPAC3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NC(Cc1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C13H17F3N2O.ClH/c1-9(17)7-12(19)18-11(13(14,15)16)8-10-5-3-2-4-6-10;/h2-6,9,11H,7-8,17H2,1H3,(H,18,19);1H
InChIKeySXTWAAKELNOVJT-UHFFFAOYSA-N
MW310.75 g/mol
LogP2.44
Rot. Bonds5

About 3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride

3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride (PubChem CID 119801858) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is 3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride
PubChem CID119801858
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NC(Cc1ccccc1)C(F)(F)F.Cl
InChIInChI=1S/C13H17F3N2O.ClH/c1-9(17)7-12(19)18-11(13(14,15)16)8-10-5-3-2-4-6-10;/h2-6,9,11H,7-8,17H2,1H3,(H,18,19);1H
InChIKeySXTWAAKELNOVJT-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
CID 70114999
3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 119801288
3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
CID 119801841
3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
CID 60836669
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 119801851
N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride
CID 119497857
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103795784
(1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97081865
(2S)-3-methyl-2-[[1,1,1-trifluoro-4-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]-4-oxobutan-2-yl]amino]butanoic acid
CID 11318966
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride (CID 119801858) is 3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride is CC(N)CC(=O)NC(Cc1ccccc1)C(F)(F)F.Cl.
What is the InChIKey of 3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride?
The InChIKey is SXTWAAKELNOVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.ClH/c1-9(17)7-12(19)18-11(13(14,15)16)8-10-5-3-2-4-6-10;/h2-6,9,11H,7-8,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride?
3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride has a molecular weight of 310.75 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 119801858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).