(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride

C13H18ClF3N2O — CID 52986036

IUPAC(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
SMILESCCC(C)[C@H](N)C(=O)Nc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C13H17F3N2O.ClH/c1-3-8(2)11(17)12(19)18-10-7-5-4-6-9(10)13(14,15)16;/h4-8,11H,3,17H2,1-2H3,(H,18,19);1H/t8?,11-;/m0./s1
InChIKeyVOJGUAASQMVEGF-YCFJOMISSA-N
MW310.75 g/mol
LogP3.44
Rot. Bonds4

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

(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride (PubChem CID 52986036) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
PubChem CID52986036
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
SMILESCCC(C)[C@H](N)C(=O)Nc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C13H17F3N2O.ClH/c1-3-8(2)11(17)12(19)18-10-7-5-4-6-9(10)13(14,15)16;/h4-8,11H,3,17H2,1-2H3,(H,18,19);1H/t8?,11-;/m0./s1
InChIKeyVOJGUAASQMVEGF-YCFJOMISSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778077
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62853226
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81071261
2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide
CID 43712488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride (CID 52986036) is (2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride is CCC(C)[C@H](N)C(=O)Nc1ccccc1C(F)(F)F.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
The InChIKey is VOJGUAASQMVEGF-YCFJOMISSA-N. The full InChI is InChI=1S/C13H17F3N2O.ClH/c1-3-8(2)11(17)12(19)18-10-7-5-4-6-9(10)13(14,15)16;/h4-8,11H,3,17H2,1-2H3,(H,18,19);1H/t8?,11-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride has a molecular weight of 310.75 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 52986036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).