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

C16H16BrNO2 — CID 82706830

IUPACN-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C16H16BrNO2/c1-10-5-7-15(20-3)12(8-10)16(19)18-14-9-11(2)4-6-13(14)17/h4-9H,1-3H3,(H,18,19)
InChIKeyPDBAAGNNPFMFIR-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.33
Rot. Bonds3

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

N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide (PubChem CID 82706830) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
PubChem CID82706830
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C16H16BrNO2/c1-10-5-7-15(20-3)12(8-10)16(19)18-14-9-11(2)4-6-13(14)17/h4-9H,1-3H3,(H,18,19)
InChIKeyPDBAAGNNPFMFIR-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312
N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 81272413
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide
CID 103414555
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
N-(2-bromo-5-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 82757838
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
CID 103882118
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
N-(2-iodophenyl)-2-methoxy-5-methylbenzamide
CID 34049921
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide (CID 82706830) is N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)Nc1cc(C)ccc1Br.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide?
The InChIKey is PDBAAGNNPFMFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-5-7-15(20-3)12(8-10)16(19)18-14-9-11(2)4-6-13(14)17/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide?
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide has a molecular weight of 334.21 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 82706830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).