2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide

C14H16Br2ClNO — CID 106367028

IUPAC2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CCl)c1cc(Br)ccc1Br
InChIInChI=1S/C14H16Br2ClNO/c15-10-5-6-12(16)11(7-10)14(19)18-13-4-2-1-3-9(13)8-17/h5-7,9,13H,1-4,8H2,(H,18,19)
InChIKeyOXJSWQJZRFNVGX-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.74
Rot. Bonds3

About 2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide

2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide (PubChem CID 106367028) has the molecular formula C14H16Br2ClNO and a molecular weight of 409.55 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
PubChem CID106367028
Molecular FormulaC14H16Br2ClNO
Molecular Weight409.55 g/mol
Exact Mass406.93
IUPAC Name2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CCl)c1cc(Br)ccc1Br
InChIInChI=1S/C14H16Br2ClNO/c15-10-5-6-12(16)11(7-10)14(19)18-13-4-2-1-3-9(13)8-17/h5-7,9,13H,1-4,8H2,(H,18,19)
InChIKeyOXJSWQJZRFNVGX-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.74
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

2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
CID 106366697
2-bromo-N-[2-(chloromethyl)cyclopentyl]-5-iodobenzamide
CID 106366054
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 114179613
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide
CID 106365773
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
CID 114179592
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865
2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
CID 79714631
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide (CID 106367028) is 2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide is O=C(NC1CCCCC1CCl)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide?
The InChIKey is OXJSWQJZRFNVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2ClNO/c15-10-5-6-12(16)11(7-10)14(19)18-13-4-2-1-3-9(13)8-17/h5-7,9,13H,1-4,8H2,(H,18,19).
What are the key properties of 2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide?
2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide has a molecular weight of 409.55 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 106367028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).