3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride

C10H14Cl2N2O2 — CID 120873520

IUPAC3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(Cl)cc1O.Cl
InChIInChI=1S/C10H13ClN2O2.ClH/c1-6(12)4-10(15)13-8-3-2-7(11)5-9(8)14;/h2-3,5-6,14H,4,12H2,1H3,(H,13,15);1H
InChIKeyQRTGNSLHHRJBIZ-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.14
Rot. Bonds3

About 3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride

3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride (PubChem CID 120873520) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride
PubChem CID120873520
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(Cl)cc1O.Cl
InChIInChI=1S/C10H13ClN2O2.ClH/c1-6(12)4-10(15)13-8-3-2-7(11)5-9(8)14;/h2-3,5-6,14H,4,12H2,1H3,(H,13,15);1H
InChIKeyQRTGNSLHHRJBIZ-UHFFFAOYSA-N
XLogP2.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide
CID 120872763
3-amino-N-(4-chloro-2-nitrophenyl)butanamide
CID 60837665
N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 124589488
3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
CID 95909610
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559
3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride
CID 119788930
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
CID 60841593
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide
CID 85469449
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride (CID 120873520) is 3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride is CC(N)CC(=O)Nc1ccc(Cl)cc1O.Cl.
What is the InChIKey of 3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride?
The InChIKey is QRTGNSLHHRJBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2.ClH/c1-6(12)4-10(15)13-8-3-2-7(11)5-9(8)14;/h2-3,5-6,14H,4,12H2,1H3,(H,13,15);1H.
What are the key properties of 3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride?
3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride has a molecular weight of 265.14 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 120873520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).