4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide

C13H15Br2NO2 — CID 114103962

IUPAC4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide
SMILESO=C(NC1CCC(Br)CC1)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H15Br2NO2/c14-9-2-4-10(5-3-9)16-13(18)8-1-6-11(15)12(17)7-8/h1,6-7,9-10,17H,2-5H2,(H,16,18)
InChIKeyGQERKJDFQVBSMP-UHFFFAOYSA-N
MW377.08 g/mol
LogP3.59
Rot. Bonds2

About 4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide

4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide (PubChem CID 114103962) has the molecular formula C13H15Br2NO2 and a molecular weight of 377.08 g/mol. Its IUPAC name is 4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide
PubChem CID114103962
Molecular FormulaC13H15Br2NO2
Molecular Weight377.08 g/mol
Exact Mass374.95
IUPAC Name4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide
SMILESO=C(NC1CCC(Br)CC1)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H15Br2NO2/c14-9-2-4-10(5-3-9)16-13(18)8-1-6-11(15)12(17)7-8/h1,6-7,9-10,17H,2-5H2,(H,16,18)
InChIKeyGQERKJDFQVBSMP-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
CID 114309058
4-bromo-N-(4-bromocyclohexyl)benzamide
CID 114309063
4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103890717
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
N-cyclopentyl-3,4-dihydroxybenzamide
CID 113199189
4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide
CID 102673953
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
CID 113434643
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide (CID 114103962) is 4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide is O=C(NC1CCC(Br)CC1)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide?
The InChIKey is GQERKJDFQVBSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO2/c14-9-2-4-10(5-3-9)16-13(18)8-1-6-11(15)12(17)7-8/h1,6-7,9-10,17H,2-5H2,(H,16,18).
What are the key properties of 4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide?
4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide has a molecular weight of 377.08 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide is sourced from PubChem (CID 114103962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).