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

C13H20Cl2N2O — CID 119669753

IUPAC2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-3-9(2)12(15)13(17)16-8-10-4-6-11(14)7-5-10;/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17);1H
InChIKeyHJUAZITVBZHINC-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.75
Rot. Bonds5

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

2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride (PubChem CID 119669753) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
PubChem CID119669753
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-3-9(2)12(15)13(17)16-8-10-4-6-11(14)7-5-10;/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17);1H
InChIKeyHJUAZITVBZHINC-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119747912
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
2-amino-3-methyl-N-[(4-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119708450
2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
CID 119714373
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119713159
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
(2S,3S)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylpentanamide
CID 61155382
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119730113
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride (CID 119669753) is 2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride?
The InChIKey is HJUAZITVBZHINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-3-9(2)12(15)13(17)16-8-10-4-6-11(14)7-5-10;/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.75, 5 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)methyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119669753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).