N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide

C11H13Cl2NO2 — CID 19093274

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
SMILESCCCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C11H13Cl2NO2/c1-3-4-9(15)14-8-5-7(12)6(2)10(13)11(8)16/h5,16H,3-4H2,1-2H3,(H,14,15)
InChIKeyJYTSEBJQHNMUOC-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.75
Rot. Bonds3

About N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide (PubChem CID 19093274) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
PubChem CID19093274
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
SMILESCCCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C11H13Cl2NO2/c1-3-4-9(15)14-8-5-7(12)6(2)10(13)11(8)16/h5,16H,3-4H2,1-2H3,(H,14,15)
InChIKeyJYTSEBJQHNMUOC-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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-hydroxy-4-methylphenyl)butanamide 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-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-[[(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamoylamino]methyl]urea
CID 58828937
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide
CID 101298635
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(2-octylphenoxy)propanamide
CID 101298643
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide
CID 4110221
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide
CID 11293160
N-(2-chloro-4-hydroxyphenyl)butanamide
CID 64789093
N-(2-chloro-5-hydroxyphenyl)butanamide
CID 137473270
(3,5-dichloro-2-hydroxy-4-methylphenyl)thiourea
CID 169359962
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide
CID 101298619

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide (CID 19093274) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide is CCCC(=O)Nc1cc(Cl)c(C)c(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide?
The InChIKey is JYTSEBJQHNMUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-3-4-9(15)14-8-5-7(12)6(2)10(13)11(8)16/h5,16H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide has a molecular weight of 262.14 g/mol, XLogP of 3.75, 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-hydroxy-4-methylphenyl)butanamide is sourced from PubChem (CID 19093274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).