(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride

C14H20ClF3N2O — CID 119315290

IUPAC(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
SMILESCCCC(NC(=O)[C@H](C)N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H19F3N2O.ClH/c1-3-5-12(19-13(20)9(2)18)10-6-4-7-11(8-10)14(15,16)17;/h4,6-9,12H,3,5,18H2,1-2H3,(H,19,20);1H/t9-,12?;/m0./s1
InChIKeyYJVQFMGMOFHQDE-JDDMYJKFSA-N
MW324.77 g/mol
LogP3.43
Rot. Bonds5

About (2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride

(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride (PubChem CID 119315290) has the molecular formula C14H20ClF3N2O and a molecular weight of 324.77 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
PubChem CID119315290
Molecular FormulaC14H20ClF3N2O
Molecular Weight324.77 g/mol
Exact Mass324.12
IUPAC Name(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
SMILESCCCC(NC(=O)[C@H](C)N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H19F3N2O.ClH/c1-3-5-12(19-13(20)9(2)18)10-6-4-7-11(8-10)14(15,16)17;/h4,6-9,12H,3,5,18H2,1-2H3,(H,19,20);1H/t9-,12?;/m0./s1
InChIKeyYJVQFMGMOFHQDE-JDDMYJKFSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315304
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide
CID 56823666
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 119316444
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390
N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide
CID 51134582
4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 52523148
3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide
CID 52513780
(1R)-1-N-(1-phenylbutyl)-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 66926347
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562152
4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562077
3-[3-(trifluoromethyl)phenyl]hexanamide
CID 112509132

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride (CID 119315290) is (2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride is CCCC(NC(=O)[C@H](C)N)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride?
The InChIKey is YJVQFMGMOFHQDE-JDDMYJKFSA-N. The full InChI is InChI=1S/C14H19F3N2O.ClH/c1-3-5-12(19-13(20)9(2)18)10-6-4-7-11(8-10)14(15,16)17;/h4,6-9,12H,3,5,18H2,1-2H3,(H,19,20);1H/t9-,12?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride?
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride has a molecular weight of 324.77 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride is sourced from PubChem (CID 119315290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).