5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide

C15H19BrClNO2 — CID 62525811

IUPAC5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
SMILESCC1CCCC(CO)(NC(=O)c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C15H19BrClNO2/c1-10-3-2-6-15(8-10,9-19)18-14(20)12-7-11(16)4-5-13(12)17/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyHAFCZSDHUBUSPR-UHFFFAOYSA-N
MW360.68 g/mol
LogP3.77
Rot. Bonds3

About 5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide

5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide (PubChem CID 62525811) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
PubChem CID62525811
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC Name5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
SMILESCC1CCCC(CO)(NC(=O)c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C15H19BrClNO2/c1-10-3-2-6-15(8-10,9-19)18-14(20)12-7-11(16)4-5-13(12)17/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyHAFCZSDHUBUSPR-UHFFFAOYSA-N
XLogP3.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylbenzamide
CID 106861928
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62526326
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1H-pyrrole-2-carboxamide
CID 62525276
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 80641116
5-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527720
2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 81479815

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide (CID 62525811) is 5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide is CC1CCCC(CO)(NC(=O)c2cc(Br)ccc2Cl)C1.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The InChIKey is HAFCZSDHUBUSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c1-10-3-2-6-15(8-10,9-19)18-14(20)12-7-11(16)4-5-13(12)17/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20).
What are the key properties of 5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide has a molecular weight of 360.68 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide is sourced from PubChem (CID 62525811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).