N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide

C15H20BrNO2 — CID 106133207

IUPACN-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCC(Br)C2)cc1O
InChIInChI=1S/C15H20BrNO2/c1-10-5-6-12(8-14(10)18)15(19)17-9-11-3-2-4-13(16)7-11/h5-6,8,11,13,18H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyXAELLHLQOPGEPW-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.38
Rot. Bonds3

About N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide

N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide (PubChem CID 106133207) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
PubChem CID106133207
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCC(Br)C2)cc1O
InChIInChI=1S/C15H20BrNO2/c1-10-5-6-12(8-14(10)18)15(19)17-9-11-3-2-4-13(16)7-11/h5-6,8,11,13,18H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyXAELLHLQOPGEPW-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-bromocyclohexyl)methyl]-3-hydroxy-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

N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
CID 106127832
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
CID 106128639
N-[(3-bromocyclohexyl)methyl]-3-chloro-4-iodobenzamide
CID 114147750
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide
CID 106129095
N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 114306751
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide (CID 106133207) is N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCC2CCCC(Br)C2)cc1O.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is XAELLHLQOPGEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10-5-6-12(8-14(10)18)15(19)17-9-11-3-2-4-13(16)7-11/h5-6,8,11,13,18H,2-4,7,9H2,1H3,(H,17,19).
What are the key properties of N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide?
N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 106133207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).