(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride

C11H14ClF3N2O2 — CID 119275178

IUPAC(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccccc1OC(F)(F)F.Cl
InChIInChI=1S/C11H13F3N2O2.ClH/c1-2-7(15)10(17)16-8-5-3-4-6-9(8)18-11(12,13)14;/h3-7H,2,15H2,1H3,(H,16,17);1H/t7-;/m0./s1
InChIKeyBWDGHBNEJPRFNW-FJXQXJEOSA-N
MW298.69 g/mol
LogP2.68
Rot. Bonds4

About (2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride

(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride (PubChem CID 119275178) has the molecular formula C11H14ClF3N2O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
PubChem CID119275178
Molecular FormulaC11H14ClF3N2O2
Molecular Weight298.69 g/mol
Exact Mass298.07
IUPAC Name(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccccc1OC(F)(F)F.Cl
InChIInChI=1S/C11H13F3N2O2.ClH/c1-2-7(15)10(17)16-8-5-3-4-6-9(8)18-11(12,13)14;/h3-7H,2,15H2,1H3,(H,16,17);1H/t7-;/m0./s1
InChIKeyBWDGHBNEJPRFNW-FJXQXJEOSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 42922033
2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 4598212
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 111431252
2-[2-(trifluoromethoxy)anilino]butanoic acid
CID 64668144
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 62837697
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
N-(2-aminophenyl)-N'-[2-(trifluoromethoxy)phenyl]heptanediamide
CID 45256999
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 62832471

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride (CID 119275178) is (2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride is CC[C@H](N)C(=O)Nc1ccccc1OC(F)(F)F.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride?
The InChIKey is BWDGHBNEJPRFNW-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H13F3N2O2.ClH/c1-2-7(15)10(17)16-8-5-3-4-6-9(8)18-11(12,13)14;/h3-7H,2,15H2,1H3,(H,16,17);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride?
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride has a molecular weight of 298.69 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119275178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).