N-(4-bromo-3-methylphenyl)-4-methoxybenzamide

C15H14BrNO2 — CID 710659

IUPACN-(4-bromo-3-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C15H14BrNO2/c1-10-9-12(5-8-14(10)16)17-15(18)11-3-6-13(19-2)7-4-11/h3-9H,1-2H3,(H,17,18)
InChIKeyNBPJLIZBSDOIQS-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.02
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-4-methoxybenzamide

N-(4-bromo-3-methylphenyl)-4-methoxybenzamide (PubChem CID 710659) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-methoxybenzamide
PubChem CID710659
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC NameN-(4-bromo-3-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C15H14BrNO2/c1-10-9-12(5-8-14(10)16)17-15(18)11-3-6-13(19-2)7-4-11/h3-9H,1-2H3,(H,17,18)
InChIKeyNBPJLIZBSDOIQS-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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-methoxybenzamide (CID 710659) is N-(4-bromo-3-methylphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
The InChIKey is NBPJLIZBSDOIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-9-12(5-8-14(10)16)17-15(18)11-3-6-13(19-2)7-4-11/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide 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 N-(4-bromo-3-methylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 710659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).