N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide

C15H13BrFNO3 — CID 103876604

IUPACN-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(OC)cc2F)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-11-3-4-13(14(17)8-11)15(19)18-10-5-9(16)6-12(7-10)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyFWHJESGTIWNWPR-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.86
Rot. Bonds4

About N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide

N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide (PubChem CID 103876604) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
PubChem CID103876604
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC NameN-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(OC)cc2F)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-11-3-4-13(14(17)8-11)15(19)18-10-5-9(16)6-12(7-10)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyFWHJESGTIWNWPR-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-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

2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029
dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17433803
N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
CID 103878372
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 87026628
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146
N-(3-bromo-5-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388544
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide (CID 103876604) is N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide is COc1cc(Br)cc(NC(=O)c2ccc(OC)cc2F)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is FWHJESGTIWNWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-20-11-3-4-13(14(17)8-11)15(19)18-10-5-9(16)6-12(7-10)21-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide?
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 354.18 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 103876604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).