3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide

C14H18BrNO2 — CID 103798593

IUPAC3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CO)c1cccc(Br)c1
InChIInChI=1S/C14H18BrNO2/c15-12-6-3-5-10(8-12)14(18)16-13-7-2-1-4-11(13)9-17/h3,5-6,8,11,13,17H,1-2,4,7,9H2,(H,16,18)
InChIKeyGMFYFOYTHMEVER-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.73
Rot. Bonds3

About 3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide

3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 103798593) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID103798593
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CO)c1cccc(Br)c1
InChIInChI=1S/C14H18BrNO2/c15-12-6-3-5-10(8-12)14(18)16-13-7-2-1-4-11(13)9-17/h3,5-6,8,11,13,17H,1-2,4,7,9H2,(H,16,18)
InChIKeyGMFYFOYTHMEVER-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361705
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 97011465
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide
CID 110011733
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide (CID 103798593) is 3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide is O=C(NC1CCCCC1CO)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is GMFYFOYTHMEVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-12-6-3-5-10(8-12)14(18)16-13-7-2-1-4-11(13)9-17/h3,5-6,8,11,13,17H,1-2,4,7,9H2,(H,16,18).
What are the key properties of 3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 312.21 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 103798593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).