N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide

C15H19Cl2NO2 — CID 139825304

IUPACN-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide
SMILESCC1(CC(=O)Nc2ccc(O)c(Cl)c2Cl)CCCCC1
InChIInChI=1S/C15H19Cl2NO2/c1-15(7-3-2-4-8-15)9-12(20)18-10-5-6-11(19)14(17)13(10)16/h5-6,19H,2-4,7-9H2,1H3,(H,18,20)
InChIKeyUFTIFIMWQVNVEE-UHFFFAOYSA-N
MW316.23 g/mol
LogP5.00
Rot. Bonds3

About N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide

N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide (PubChem CID 139825304) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide
PubChem CID139825304
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC NameN-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide
SMILESCC1(CC(=O)Nc2ccc(O)c(Cl)c2Cl)CCCCC1
InChIInChI=1S/C15H19Cl2NO2/c1-15(7-3-2-4-8-15)9-12(20)18-10-5-6-11(19)14(17)13(10)16/h5-6,19H,2-4,7-9H2,1H3,(H,18,20)
InChIKeyUFTIFIMWQVNVEE-UHFFFAOYSA-N
XLogP5.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide 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

Fenhexamid
CID 213031
(2E,4E,6E,8E)-N-(3-chloro-4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 12150747
Fenhexamid-butyric acid
CID 91339011
N-(2,3-dichloro-4-hydroxyphenyl)acetamide
CID 19710927
N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylpropanamide
CID 836665
N-(3,5-dichloro-4-hydroxyphenyl)-2-phenylacetamide
CID 891731
N-(3-chloro-4-hydroxyphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78955078
N-(3-chloro-4-hydroxyphenyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931538
N-(5-bromo-2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
CID 102439812
1-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 102439814
N-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclohexanecarboxamide
CID 108452105
N-(5-chloro-2-fluoro-4-hydroxyphenyl)-3-phenylpropanamide
CID 108459571

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide?
The IUPAC name of N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide (CID 139825304) is N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide.
What is the SMILES notation for N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide?
The canonical SMILES for N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide is CC1(CC(=O)Nc2ccc(O)c(Cl)c2Cl)CCCCC1.
What is the InChIKey of N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide?
The InChIKey is UFTIFIMWQVNVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-15(7-3-2-4-8-15)9-12(20)18-10-5-6-11(19)14(17)13(10)16/h5-6,19H,2-4,7-9H2,1H3,(H,18,20).
What are the key properties of N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide?
N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide has a molecular weight of 316.23 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloro-4-hydroxyphenyl)-2-(1-methylcyclohexyl)acetamide is sourced from PubChem (CID 139825304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).