N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide

C15H13Br2NO3 — CID 107676866

IUPACN-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(O)c(C)c2)c(Br)cc1Br
InChIInChI=1S/C15H13Br2NO3/c1-8-5-9(3-4-13(8)19)15(20)18-12-7-14(21-2)11(17)6-10(12)16/h3-7,19H,1-2H3,(H,18,20)
InChIKeyCIPUHMZJWRBPFS-UHFFFAOYSA-N
MW415.08 g/mol
LogP4.49
Rot. Bonds3

About N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide

N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide (PubChem CID 107676866) has the molecular formula C15H13Br2NO3 and a molecular weight of 415.08 g/mol. Its IUPAC name is N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
PubChem CID107676866
Molecular FormulaC15H13Br2NO3
Molecular Weight415.08 g/mol
Exact Mass412.93
IUPAC NameN-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(O)c(C)c2)c(Br)cc1Br
InChIInChI=1S/C15H13Br2NO3/c1-8-5-9(3-4-13(8)19)15(20)18-12-7-14(21-2)11(17)6-10(12)16/h3-7,19H,1-2H3,(H,18,20)
InChIKeyCIPUHMZJWRBPFS-UHFFFAOYSA-N
XLogP4.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.08
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103956833
N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414718
N-(2,4-dibromo-5-methoxyphenyl)-3-sulfanylbenzamide
CID 107037079
6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide
CID 103416721
2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
CID 103410429
N-(2-bromo-5-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 82757838
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide
CID 103414555
4-chloro-N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414724
N-(2,6-dibromophenyl)-4-hydroxy-3-methylbenzamide
CID 107676885

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide (CID 107676866) is N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide is COc1cc(NC(=O)c2ccc(O)c(C)c2)c(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is CIPUHMZJWRBPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO3/c1-8-5-9(3-4-13(8)19)15(20)18-12-7-14(21-2)11(17)6-10(12)16/h3-7,19H,1-2H3,(H,18,20).
What are the key properties of N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide?
N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 415.08 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107676866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).