N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride

C13H19ClF2N2O — CID 119996136

IUPACN-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCc1cccc(F)c1F.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-9(7-16)8-17-12(18)6-5-10-3-2-4-11(14)13(10)15;/h2-4,9H,5-8,16H2,1H3,(H,17,18);1H
InChIKeyAQJDECRAZCWPBJ-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.03
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride (PubChem CID 119996136) has the molecular formula C13H19ClF2N2O and a molecular weight of 292.76 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
PubChem CID119996136
Molecular FormulaC13H19ClF2N2O
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC NameN-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCc1cccc(F)c1F.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-9(7-16)8-17-12(18)6-5-10-3-2-4-11(14)13(10)15;/h2-4,9H,5-8,16H2,1H3,(H,17,18);1H
InChIKeyAQJDECRAZCWPBJ-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-[3-(2,3-difluorophenyl)propanoylamino]-2-methylpropanoic acid
CID 97324559
N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
CID 62666475
N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
CID 119585666
(2S)-2-[3-(2,3-difluorophenyl)propanoylamino]propanoic acid
CID 119238181
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119995418
3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
CID 111446592
N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119995634
N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide
CID 115271746
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 111463317

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride (CID 119996136) is N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride is CC(CN)CNC(=O)CCc1cccc(F)c1F.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride?
The InChIKey is AQJDECRAZCWPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O.ClH/c1-9(7-16)8-17-12(18)6-5-10-3-2-4-11(14)13(10)15;/h2-4,9H,5-8,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride has a molecular weight of 292.76 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119996136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).