4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide

C15H19Br2NO2 — CID 106367431

IUPAC4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC1CCCCC1CBr
InChIInChI=1S/C15H19Br2NO2/c1-20-14-8-11(17)6-7-12(14)15(19)18-13-5-3-2-4-10(13)9-16/h6-8,10,13H,2-5,9H2,1H3,(H,18,19)
InChIKeyAXXIQQHSCDZTCV-UHFFFAOYSA-N
MW405.13 g/mol
LogP4.14
Rot. Bonds4

About 4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide

4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide (PubChem CID 106367431) has the molecular formula C15H19Br2NO2 and a molecular weight of 405.13 g/mol. Its IUPAC name is 4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
PubChem CID106367431
Molecular FormulaC15H19Br2NO2
Molecular Weight405.13 g/mol
Exact Mass402.98
IUPAC Name4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC1CCCCC1CBr
InChIInChI=1S/C15H19Br2NO2/c1-20-14-8-11(17)6-7-12(14)15(19)18-13-5-3-2-4-10(13)9-16/h6-8,10,13H,2-5,9H2,1H3,(H,18,19)
InChIKeyAXXIQQHSCDZTCV-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.13
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide 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-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115368666
2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
CID 106366534
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide
CID 113246081
4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide
CID 115369291
2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
CID 79714631
N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
CID 106366287
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide
CID 106366441
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
CID 115369289
4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide (CID 106367431) is 4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC1CCCCC1CBr.
What is the InChIKey of 4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide?
The InChIKey is AXXIQQHSCDZTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO2/c1-20-14-8-11(17)6-7-12(14)15(19)18-13-5-3-2-4-10(13)9-16/h6-8,10,13H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide?
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide has a molecular weight of 405.13 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide is sourced from PubChem (CID 106367431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).