2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide

C16H16BrNO2 — CID 103853431

IUPAC2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
SMILESCOc1cc(C)ccc1NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H16BrNO2/c1-10-7-8-13(14(9-10)20-3)18-16(19)12-6-4-5-11(2)15(12)17/h4-9H,1-3H3,(H,18,19)
InChIKeyNIHWTHQJFSHVJR-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.33
Rot. Bonds3

About 2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide

2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide (PubChem CID 103853431) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
PubChem CID103853431
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
SMILESCOc1cc(C)ccc1NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H16BrNO2/c1-10-7-8-13(14(9-10)20-3)18-16(19)12-6-4-5-11(2)15(12)17/h4-9H,1-3H3,(H,18,19)
InChIKeyNIHWTHQJFSHVJR-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

2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103988699
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
CID 26524219
N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24703596
2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 103853347
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide
CID 103853379
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide
CID 103853019

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide (CID 103853431) is 2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide is COc1cc(C)ccc1NC(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide?
The InChIKey is NIHWTHQJFSHVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-7-8-13(14(9-10)20-3)18-16(19)12-6-4-5-11(2)15(12)17/h4-9H,1-3H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide?
2-bromo-N-(2-methoxy-4-methylphenyl)-3-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 2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 103853431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).