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

C15H14BrNO3 — CID 62416430

IUPACN-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C15H14BrNO3/c1-19-11-5-3-10(4-6-11)15(18)17-14-9-12(20-2)7-8-13(14)16/h3-9H,1-2H3,(H,17,18)
InChIKeyXWKRJCNVAVVPIZ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.72
Rot. Bonds4

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

N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide (PubChem CID 62416430) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
PubChem CID62416430
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC NameN-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C15H14BrNO3/c1-19-11-5-3-10(4-6-11)15(18)17-14-9-12(20-2)7-8-13(14)16/h3-9H,1-2H3,(H,17,18)
InChIKeyXWKRJCNVAVVPIZ-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103956833
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-(2-bromo-5-methoxyphenyl)-3-chloro-4-methylbenzamide
CID 63235634
N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide
CID 62415637
5-bromo-N-(2-bromo-5-methoxyphenyl)thiophene-3-carboxamide
CID 62415455
N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
CID 62416612
N-(2-bromo-5-methoxyphenyl)-2-chloropyridine-4-carboxamide
CID 62415651
N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide
CID 62416422
N-(2-bromo-5-methoxyphenyl)-2-iodobenzamide
CID 62416238
5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
CID 51130825
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-hydroxybenzamide
CID 103956729

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide (CID 62416430) is N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(OC)ccc2Br)cc1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide?
The InChIKey is XWKRJCNVAVVPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-11-5-3-10(4-6-11)15(18)17-14-9-12(20-2)7-8-13(14)16/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide?
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide is sourced from PubChem (CID 62416430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).