2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide

C15H18Br3NO — CID 107941343

IUPAC2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H18Br3NO/c16-9-15(6-2-1-3-7-15)10-19-14(20)12-5-4-11(17)8-13(12)18/h4-5,8H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyIUQOMCBLUMMROL-UHFFFAOYSA-N
MW468.03 g/mol
LogP5.29
Rot. Bonds4

About 2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide

2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide (PubChem CID 107941343) has the molecular formula C15H18Br3NO and a molecular weight of 468.03 g/mol. Its IUPAC name is 2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
PubChem CID107941343
Molecular FormulaC15H18Br3NO
Molecular Weight468.03 g/mol
Exact Mass464.89
IUPAC Name2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H18Br3NO/c16-9-15(6-2-1-3-7-15)10-19-14(20)12-5-4-11(17)8-13(12)18/h4-5,8H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyIUQOMCBLUMMROL-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.03
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]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

2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107941305
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103883101
4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701402
3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107975224
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
CID 107975182
2,4-dibromo-N-[1-(bromomethyl)cyclobutyl]benzamide
CID 107941451
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide (CID 107941343) is 2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide is O=C(NCC1(CBr)CCCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide?
The InChIKey is IUQOMCBLUMMROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br3NO/c16-9-15(6-2-1-3-7-15)10-19-14(20)12-5-4-11(17)8-13(12)18/h4-5,8H,1-3,6-7,9-10H2,(H,19,20).
What are the key properties of 2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide?
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide has a molecular weight of 468.03 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 107941343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).