2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride

C12H18Cl2N2O — CID 119671236

IUPAC2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-3-8(2)11(14)12(16)15-10-6-4-9(13)5-7-10;/h4-8,11H,3,14H2,1-2H3,(H,15,16);1H
InChIKeyWKMRTGINOCOEGR-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.07
Rot. Bonds4

About 2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride

2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride (PubChem CID 119671236) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.20 g/mol. Its IUPAC name is 2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
PubChem CID119671236
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.20 g/mol
Exact Mass276.08
IUPAC Name2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-3-8(2)11(14)12(16)15-10-6-4-9(13)5-7-10;/h4-8,11H,3,14H2,1-2H3,(H,15,16);1H
InChIKeyWKMRTGINOCOEGR-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
CID 119702845
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride (CID 119671236) is 2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride?
The InChIKey is WKMRTGINOCOEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-3-8(2)11(14)12(16)15-10-6-4-9(13)5-7-10;/h4-8,11H,3,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride?
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride has a molecular weight of 277.20 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119671236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).