N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide

C11H13Cl2NO2 — CID 22082160

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H13Cl2NO2/c1-3-6(2)11(16)14-9-5-7(12)4-8(13)10(9)15/h4-6,15H,3H2,1-2H3,(H,14,16)
InChIKeyZYSKDLGNPUCLFM-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.68
Rot. Bonds3

About N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide

N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide (PubChem CID 22082160) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
PubChem CID22082160
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H13Cl2NO2/c1-3-6(2)11(16)14-9-5-7(12)4-8(13)10(9)15/h4-6,15H,3H2,1-2H3,(H,14,16)
InChIKeyZYSKDLGNPUCLFM-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide 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

N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide
CID 107675571
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide
CID 107675911
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide
CID 103891151
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide (CID 22082160) is N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide?
The InChIKey is ZYSKDLGNPUCLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-3-6(2)11(16)14-9-5-7(12)4-8(13)10(9)15/h4-6,15H,3H2,1-2H3,(H,14,16).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide?
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide has a molecular weight of 262.14 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 22082160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).