(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride

C10H11Cl2F3N2O — CID 119263846

IUPAC(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H10ClF3N2O.ClH/c1-5(15)9(17)16-6-2-3-8(11)7(4-6)10(12,13)14;/h2-5H,15H2,1H3,(H,16,17);1H/t5-;/m0./s1
InChIKeyBYLFIVHQRCWRJG-JEDNCBNOSA-N
MW303.11 g/mol
LogP3.07
Rot. Bonds2

About (2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride (PubChem CID 119263846) has the molecular formula C10H11Cl2F3N2O and a molecular weight of 303.11 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
PubChem CID119263846
Molecular FormulaC10H11Cl2F3N2O
Molecular Weight303.11 g/mol
Exact Mass302.02
IUPAC Name(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H10ClF3N2O.ClH/c1-5(15)9(17)16-6-2-3-8(11)7(4-6)10(12,13)14;/h2-5H,15H2,1H3,(H,16,17);1H/t5-;/m0./s1
InChIKeyBYLFIVHQRCWRJG-JEDNCBNOSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 43245822
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide
CID 76926011
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide
CID 60852209
[1-[4-chloro-3-(trifluoromethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl] carbamate
CID 175343547
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
CID 78973301
propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 51062424
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] propanoate
CID 18270404
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 46601417
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119675447
(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92681030

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride (CID 119263846) is (2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride is C[C@H](N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The InChIKey is BYLFIVHQRCWRJG-JEDNCBNOSA-N. The full InChI is InChI=1S/C10H10ClF3N2O.ClH/c1-5(15)9(17)16-6-2-3-8(11)7(4-6)10(12,13)14;/h2-5H,15H2,1H3,(H,16,17);1H/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride has a molecular weight of 303.11 g/mol, XLogP of 3.07, 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-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119263846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).