N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide

C15H13BrFNO3 — CID 115661440

IUPACN-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-10-4-6-14(21-2)11(8-10)15(19)18-9-3-5-13(17)12(16)7-9/h3-8H,1-2H3,(H,18,19)
InChIKeyNDGSNDAFIMVAFV-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.86
Rot. Bonds4

About N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide

N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide (PubChem CID 115661440) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
PubChem CID115661440
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC NameN-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-10-4-6-14(21-2)11(8-10)15(19)18-9-3-5-13(17)12(16)7-9/h3-8H,1-2H3,(H,18,19)
InChIKeyNDGSNDAFIMVAFV-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-4-fluorophenyl)-2,5-dimethoxybenzamide 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

2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 63999813
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide
CID 60538091
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
CID 33309581
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide (CID 115661440) is N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2ccc(F)c(Br)c2)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide?
The InChIKey is NDGSNDAFIMVAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-20-10-4-6-14(21-2)11(8-10)15(19)18-9-3-5-13(17)12(16)7-9/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide?
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide 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-4-fluorophenyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 115661440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).