3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide

C15H18Br3NO — CID 107975224

IUPAC3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H18Br3NO/c16-9-15(4-2-1-3-5-15)10-19-14(20)11-6-12(17)8-13(18)7-11/h6-8H,1-5,9-10H2,(H,19,20)
InChIKeyGZEDFHWCJVCLNR-UHFFFAOYSA-N
MW468.03 g/mol
LogP5.29
Rot. Bonds4

About 3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide

3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide (PubChem CID 107975224) has the molecular formula C15H18Br3NO and a molecular weight of 468.03 g/mol. Its IUPAC name is 3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
PubChem CID107975224
Molecular FormulaC15H18Br3NO
Molecular Weight468.03 g/mol
Exact Mass464.89
IUPAC Name3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H18Br3NO/c16-9-15(4-2-1-3-5-15)10-19-14(20)11-6-12(17)8-13(18)7-11/h6-8H,1-5,9-10H2,(H,19,20)
InChIKeyGZEDFHWCJVCLNR-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'}

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Related Compounds

3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
CID 107975182
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
3-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylbenzamide
CID 113461092
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178
4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide
CID 103969816
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
1-[[(3,5-dibromobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 107971653
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
N-[[1-(bromomethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 113439559
N-[[1-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
CID 103969790
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide (CID 107975224) is 3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide is O=C(NCC1(CBr)CCCCC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide?
The InChIKey is GZEDFHWCJVCLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br3NO/c16-9-15(4-2-1-3-5-15)10-19-14(20)11-6-12(17)8-13(18)7-11/h6-8H,1-5,9-10H2,(H,19,20).
What are the key properties of 3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide?
3,5-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 3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 107975224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).