N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide

C16H16BrNO3 — CID 62415657

IUPACN-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C16H16BrNO3/c1-10-4-7-15(21-3)12(8-10)16(19)18-14-9-11(20-2)5-6-13(14)17/h4-9H,1-3H3,(H,18,19)
InChIKeyLOZOACFKBXSAFU-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.03
Rot. Bonds4

About N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide

N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide (PubChem CID 62415657) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
PubChem CID62415657
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C16H16BrNO3/c1-10-4-7-15(21-3)12(8-10)16(19)18-14-9-11(20-2)5-6-13(14)17/h4-9H,1-3H3,(H,18,19)
InChIKeyLOZOACFKBXSAFU-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 81272413
N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide
CID 103414555
N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide
CID 18108995
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
N-(2-bromo-5-methoxyphenyl)-2-iodobenzamide
CID 62416238
2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020427
N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
CID 108511999
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide (CID 62415657) is N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide is COc1ccc(Br)c(NC(=O)c2cc(C)ccc2OC)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide?
The InChIKey is LOZOACFKBXSAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-10-4-7-15(21-3)12(8-10)16(19)18-14-9-11(20-2)5-6-13(14)17/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide?
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide has a molecular weight of 350.21 g/mol, XLogP of 4.03, 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)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 62415657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).