3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide

C14H18Cl2N2O2 — CID 106358612

IUPAC3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESNc1cc(C(=O)NC2CCCCC2CO)cc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-10-5-9(6-11(17)13(10)16)14(20)18-12-4-2-1-3-8(12)7-19/h5-6,8,12,19H,1-4,7,17H2,(H,18,20)
InChIKeyIQHNBCNJKKZDCW-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.86
Rot. Bonds3

About 3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide

3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 106358612) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID106358612
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESNc1cc(C(=O)NC2CCCCC2CO)cc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-10-5-9(6-11(17)13(10)16)14(20)18-12-4-2-1-3-8(12)7-19/h5-6,8,12,19H,1-4,7,17H2,(H,18,20)
InChIKeyIQHNBCNJKKZDCW-UHFFFAOYSA-N
XLogP2.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide 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-4,5-dichloro-N-cyclooctylbenzamide
CID 61090105
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106358522
3-amino-4,5-dichloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80715634
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide (CID 106358612) is 3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide is Nc1cc(C(=O)NC2CCCCC2CO)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is IQHNBCNJKKZDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-10-5-9(6-11(17)13(10)16)14(20)18-12-4-2-1-3-8(12)7-19/h5-6,8,12,19H,1-4,7,17H2,(H,18,20).
What are the key properties of 3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 317.22 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 106358612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).