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

C14H16Br2ClNO — CID 107975022

IUPAC3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CCl)CCCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H16Br2ClNO/c15-11-6-10(7-12(16)8-11)13(19)18-14(9-17)4-2-1-3-5-14/h6-8H,1-5,9H2,(H,18,19)
InChIKeyCDZRQWJQVLLCQQ-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.88
Rot. Bonds3

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

3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide (PubChem CID 107975022) has the molecular formula C14H16Br2ClNO and a molecular weight of 409.55 g/mol. Its IUPAC name is 3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
PubChem CID107975022
Molecular FormulaC14H16Br2ClNO
Molecular Weight409.55 g/mol
Exact Mass406.93
IUPAC Name3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CCl)CCCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H16Br2ClNO/c15-11-6-10(7-12(16)8-11)13(19)18-14(9-17)4-2-1-3-5-14/h6-8H,1-5,9H2,(H,18,19)
InChIKeyCDZRQWJQVLLCQQ-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
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-(chloromethyl)cyclopentyl]benzamide
CID 107974996
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide
CID 114300674
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178
3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide
CID 114303388
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
CID 113272413
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081283
5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide
CID 107966324
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
CID 114300478
N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide
CID 114303305

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide (CID 107975022) is 3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide is O=C(NC1(CCl)CCCCC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide?
The InChIKey is CDZRQWJQVLLCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2ClNO/c15-11-6-10(7-12(16)8-11)13(19)18-14(9-17)4-2-1-3-5-14/h6-8H,1-5,9H2,(H,18,19).
What are the key properties of 3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide?
3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide has a molecular weight of 409.55 g/mol, XLogP of 4.88, 3 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-(chloromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 107975022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).