N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride

C15H22ClF3N2O — CID 119628819

IUPACN-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCCC(C(=O)NCC(C)(C)N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H21F3N2O.ClH/c1-4-12(13(21)20-9-14(2,3)19)10-6-5-7-11(8-10)15(16,17)18;/h5-8,12H,4,9,19H2,1-3H3,(H,20,21);1H
InChIKeyWNTAOWAJZJVNPT-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.47
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 119628819) has the molecular formula C15H22ClF3N2O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID119628819
Molecular FormulaC15H22ClF3N2O
Molecular Weight338.80 g/mol
Exact Mass338.14
IUPAC NameN-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCCC(C(=O)NCC(C)(C)N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H21F3N2O.ClH/c1-4-12(13(21)20-9-14(2,3)19)10-6-5-7-11(8-10)15(16,17)18;/h5-8,12H,4,9,19H2,1-3H3,(H,20,21);1H
InChIKeyWNTAOWAJZJVNPT-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-[3-(trifluoromethyl)phenyl]butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110430
N-(tetrazolidin-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide
CID 134068455
(2R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]butanamide
CID 97009452
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 119388692
N-(2-amino-2-methylpropyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119628714
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 85462760
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119427331
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120554725
1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119402443
2-O-tert-butyl 4-O-methyl 3-methyl-5-[2-[3-(trifluoromethyl)phenyl]butanoylamino]thiophene-2,4-dicarboxylate
CID 170358481
3-amino-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 57455752

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 119628819) is N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride is CCC(C(=O)NCC(C)(C)N)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is WNTAOWAJZJVNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O.ClH/c1-4-12(13(21)20-9-14(2,3)19)10-6-5-7-11(8-10)15(16,17)18;/h5-8,12H,4,9,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 338.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119628819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).