4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide

C15H14BrNO2 — CID 112705642

IUPAC4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H14BrNO2/c1-10-8-11(6-7-14(10)16)15(18)17-12-4-3-5-13(9-12)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyDHLUCXUNYUFIHO-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.02
Rot. Bonds3

About 4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide

4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide (PubChem CID 112705642) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
PubChem CID112705642
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H14BrNO2/c1-10-8-11(6-7-14(10)16)15(18)17-12-4-3-5-13(9-12)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyDHLUCXUNYUFIHO-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide
CID 115769554
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide
CID 91674531
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590326
N-(3-methoxyphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 43022494
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide (CID 112705642) is 4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide is COc1cccc(NC(=O)c2ccc(Br)c(C)c2)c1.
What is the InChIKey of 4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide?
The InChIKey is DHLUCXUNYUFIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-8-11(6-7-14(10)16)15(18)17-12-4-3-5-13(9-12)19-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of 4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide?
4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 112705642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).