5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide

C14H18BrNO3 — CID 115277460

IUPAC5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H18BrNO3/c1-19-13-7-2-9(15)8-12(13)14(18)16-10-3-5-11(17)6-4-10/h2,7-8,10-11,17H,3-6H2,1H3,(H,16,18)
InChIKeyASWNMBCRDJAYQF-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.49
Rot. Bonds3

About 5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide

5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide (PubChem CID 115277460) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
PubChem CID115277460
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H18BrNO3/c1-19-13-7-2-9(15)8-12(13)14(18)16-10-3-5-11(17)6-4-10/h2,7-8,10-11,17H,3-6H2,1H3,(H,16,18)
InChIKeyASWNMBCRDJAYQF-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide 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

2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
CID 75465077
5-bromo-N-cyclopropyl-2-ethoxybenzamide
CID 135563587
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
5-fluoro-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 31306165
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide (CID 115277460) is 5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide?
The InChIKey is ASWNMBCRDJAYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-19-13-7-2-9(15)8-12(13)14(18)16-10-3-5-11(17)6-4-10/h2,7-8,10-11,17H,3-6H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide?
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide is sourced from PubChem (CID 115277460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).