4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide

C14H16BrCl2NO — CID 112752852

IUPAC4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCC(CCl)C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H16BrCl2NO/c15-10-4-5-12(13(17)7-10)14(19)18-11-3-1-2-9(6-11)8-16/h4-5,7,9,11H,1-3,6,8H2,(H,18,19)
InChIKeyVOPLFDDBOHLMHP-UHFFFAOYSA-N
MW365.10 g/mol
LogP4.63
Rot. Bonds3

About 4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide

4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide (PubChem CID 112752852) has the molecular formula C14H16BrCl2NO and a molecular weight of 365.10 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide
PubChem CID112752852
Molecular FormulaC14H16BrCl2NO
Molecular Weight365.10 g/mol
Exact Mass362.98
IUPAC Name4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCC(CCl)C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H16BrCl2NO/c15-10-4-5-12(13(17)7-10)14(19)18-11-3-1-2-9(6-11)8-16/h4-5,7,9,11H,1-3,6,8H2,(H,18,19)
InChIKeyVOPLFDDBOHLMHP-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-2-chloro-N-[3-(chloromethyl)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

cis-(1S,3R)-3-[(4-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675321
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
CID 119459232
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
CID 115369289
N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide
CID 112752839
4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006638
4-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279853
N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
CID 112752908
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112838966
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide (CID 112752852) is 4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide is O=C(NC1CCCC(CCl)C1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide?
The InChIKey is VOPLFDDBOHLMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrCl2NO/c15-10-4-5-12(13(17)7-10)14(19)18-11-3-1-2-9(6-11)8-16/h4-5,7,9,11H,1-3,6,8H2,(H,18,19).
What are the key properties of 4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide?
4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide has a molecular weight of 365.10 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 112752852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).