N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide

C13H16ClNO3 — CID 107725924

IUPACN-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
SMILESO=C(NC1CCC(Cl)CC1)c1ccc(O)cc1O
InChIInChI=1S/C13H16ClNO3/c14-8-1-3-9(4-2-8)15-13(18)11-6-5-10(16)7-12(11)17/h5-9,16-17H,1-4H2,(H,15,18)
InChIKeyOLILVIQKVNPDJV-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.38
Rot. Bonds2

About N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide

N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide (PubChem CID 107725924) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
PubChem CID107725924
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC NameN-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
SMILESO=C(NC1CCC(Cl)CC1)c1ccc(O)cc1O
InChIInChI=1S/C13H16ClNO3/c14-8-1-3-9(4-2-8)15-13(18)11-6-5-10(16)7-12(11)17/h5-9,16-17H,1-4H2,(H,15,18)
InChIKeyOLILVIQKVNPDJV-UHFFFAOYSA-N
XLogP2.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide 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

2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide
CID 107722193
N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281742
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
2,4-dihydroxy-N-(oxan-3-yl)benzamide
CID 113232786
N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide
CID 113274257
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60810345
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
N-(2-aminocyclopentyl)-2,4-dihydroxybenzamide
CID 63251225

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide (CID 107725924) is N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide is O=C(NC1CCC(Cl)CC1)c1ccc(O)cc1O.
What is the InChIKey of N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide?
The InChIKey is OLILVIQKVNPDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-8-1-3-9(4-2-8)15-13(18)11-6-5-10(16)7-12(11)17/h5-9,16-17H,1-4H2,(H,15,18).
What are the key properties of N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide?
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide has a molecular weight of 269.73 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 107725924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).