3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide

C16H22BrNO2 — CID 115701184

IUPAC3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CO)CCCCC2)cc1Br
InChIInChI=1S/C16H22BrNO2/c1-12-5-6-13(9-14(12)17)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyBRPZWOSKAXTOGJ-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.43
Rot. Bonds4

About 3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide

3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide (PubChem CID 115701184) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
PubChem CID115701184
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CO)CCCCC2)cc1Br
InChIInChI=1S/C16H22BrNO2/c1-12-5-6-13(9-14(12)17)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyBRPZWOSKAXTOGJ-UHFFFAOYSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
1-[[(3-bromo-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312051
3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 103842937
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 113294009
4-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 113397023
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
CID 114108124
3-bromo-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylbenzamide
CID 111596827
3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110631720
6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 115283360
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide (CID 115701184) is 3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(CO)CCCCC2)cc1Br.
What is the InChIKey of 3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide?
The InChIKey is BRPZWOSKAXTOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-12-5-6-13(9-14(12)17)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of 3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide?
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide has a molecular weight of 340.26 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 115701184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).