3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride

C11H16Cl2N2O — CID 12546926

IUPAC3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
SMILESCc1cccc(Cl)c1NC(=O)CC(C)N.Cl
InChIInChI=1S/C11H15ClN2O.ClH/c1-7-4-3-5-9(12)11(7)14-10(15)6-8(2)13;/h3-5,8H,6,13H2,1-2H3,(H,14,15);1H
InChIKeyOTKIHHSZTIPDMD-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.75
Rot. Bonds3

About 3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride

3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride (PubChem CID 12546926) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
PubChem CID12546926
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
SMILESCc1cccc(Cl)c1NC(=O)CC(C)N.Cl
InChIInChI=1S/C11H15ClN2O.ClH/c1-7-4-3-5-9(12)11(7)14-10(15)6-8(2)13;/h3-5,8H,6,13H2,1-2H3,(H,14,15);1H
InChIKeyOTKIHHSZTIPDMD-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119684604
N-(2-chloro-6-methylphenyl)-2-[di(propan-2-yl)amino]acetamide;hydrochloride
CID 138402190
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
CID 66254944
2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 124514697
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
2-(4-aminophenyl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66253342
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride
CID 138396786

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride (CID 12546926) is 3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride is Cc1cccc(Cl)c1NC(=O)CC(C)N.Cl.
What is the InChIKey of 3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride?
The InChIKey is OTKIHHSZTIPDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c1-7-4-3-5-9(12)11(7)14-10(15)6-8(2)13;/h3-5,8H,6,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride?
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 12546926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).