N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide

C15H20BrNO3 — CID 114309034

IUPACN-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(Br)CC2)cc1OC
InChIInChI=1S/C15H20BrNO3/c1-19-13-8-3-10(9-14(13)20-2)15(18)17-12-6-4-11(16)5-7-12/h3,8-9,11-12H,4-7H2,1-2H3,(H,17,18)
InChIKeyLJFRUGKZHFJCHJ-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.14
Rot. Bonds4

About N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide

N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide (PubChem CID 114309034) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
PubChem CID114309034
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(Br)CC2)cc1OC
InChIInChI=1S/C15H20BrNO3/c1-19-13-8-3-10(9-14(13)20-2)15(18)17-12-6-4-11(16)5-7-12/h3,8-9,11-12H,4-7H2,1-2H3,(H,17,18)
InChIKeyLJFRUGKZHFJCHJ-UHFFFAOYSA-N
XLogP3.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 51299958

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide (CID 114309034) is N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCC(Br)CC2)cc1OC.
What is the InChIKey of N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide?
The InChIKey is LJFRUGKZHFJCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-19-13-8-3-10(9-14(13)20-2)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)-3,4-dimethoxybenzamide?
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide has a molecular weight of 342.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 114309034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).