N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide

C16H16BrNO2 — CID 107574824

IUPACN-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C16H16BrNO2/c1-10-7-13(8-11(2)15(10)17)18-16(19)12-5-4-6-14(9-12)20-3/h4-9H,1-3H3,(H,18,19)
InChIKeyDZBACONBSXYWFE-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.33
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide

N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide (PubChem CID 107574824) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
PubChem CID107574824
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C16H16BrNO2/c1-10-7-13(8-11(2)15(10)17)18-16(19)12-5-4-6-14(9-12)20-3/h4-9H,1-3H3,(H,18,19)
InChIKeyDZBACONBSXYWFE-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

Analyze N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide 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-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide
CID 91674531
N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
CID 107574838
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
N-(4-amino-3-bromophenyl)-3-methoxybenzamide
CID 82861399
4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
CID 112705642
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
CID 107573025
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide (CID 107574824) is N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(C)c(Br)c(C)c2)c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide?
The InChIKey is DZBACONBSXYWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-7-13(8-11(2)15(10)17)18-16(19)12-5-4-6-14(9-12)20-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide?
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide 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-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 107574824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).