(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride

C10H11ClF4N2O — CID 119279745

IUPAC(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C10H10F4N2O.ClH/c1-5(15)9(17)16-8-4-6(10(12,13)14)2-3-7(8)11;/h2-5H,15H2,1H3,(H,16,17);1H/t5-;/m0./s1
InChIKeyXYDBFEMSZDAWCN-JEDNCBNOSA-N
MW286.66 g/mol
LogP2.55
Rot. Bonds2

About (2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride (PubChem CID 119279745) has the molecular formula C10H11ClF4N2O and a molecular weight of 286.66 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
PubChem CID119279745
Molecular FormulaC10H11ClF4N2O
Molecular Weight286.66 g/mol
Exact Mass286.05
IUPAC Name(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C10H10F4N2O.ClH/c1-5(15)9(17)16-8-4-6(10(12,13)14)2-3-7(8)11;/h2-5H,15H2,1H3,(H,16,17);1H/t5-;/m0./s1
InChIKeyXYDBFEMSZDAWCN-JEDNCBNOSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.66
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
CID 81196961
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
2-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037558
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613
methyl 3-[[(2R)-2-aminopropanoyl]amino]-4-fluorobenzoate;hydrochloride
CID 119278003
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 63036312
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride (CID 119279745) is (2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride is C[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1F.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The InChIKey is XYDBFEMSZDAWCN-JEDNCBNOSA-N. The full InChI is InChI=1S/C10H10F4N2O.ClH/c1-5(15)9(17)16-8-4-6(10(12,13)14)2-3-7(8)11;/h2-5H,15H2,1H3,(H,16,17);1H/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride has a molecular weight of 286.66 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119279745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).