N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide

C15H20BrNO2 — CID 113274311

IUPACN-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C15H20BrNO2/c1-10-3-8-14(19-2)13(9-10)15(18)17-12-6-4-11(16)5-7-12/h3,8-9,11-12H,4-7H2,1-2H3,(H,17,18)
InChIKeyXSEOMNVZLIOJNV-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.44
Rot. Bonds3

About N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide

N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide (PubChem CID 113274311) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
PubChem CID113274311
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C15H20BrNO2/c1-10-3-8-14(19-2)13(9-10)15(18)17-12-6-4-11(16)5-7-12/h3,8-9,11-12H,4-7H2,1-2H3,(H,17,18)
InChIKeyXSEOMNVZLIOJNV-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide
CID 99777899
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide
CID 105064552
N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102885227
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide (CID 113274311) is N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NC1CCC(Br)CC1.
What is the InChIKey of N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide?
The InChIKey is XSEOMNVZLIOJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10-3-8-14(19-2)13(9-10)15(18)17-12-6-4-11(16)5-7-12/h3,8-9,11-12H,4-7H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide?
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 113274311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).