3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide

C15H13BrFNO3 — CID 103706313

IUPAC3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccc(F)c(Br)c2)cc(OC)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-11-6-10(7-12(8-11)21-2)18-15(19)9-3-4-14(17)13(16)5-9/h3-8H,1-2H3,(H,18,19)
InChIKeyWOZXUHZMXSEKAG-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.86
Rot. Bonds4

About 3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide

3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide (PubChem CID 103706313) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
PubChem CID103706313
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC Name3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccc(F)c(Br)c2)cc(OC)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-11-6-10(7-12(8-11)21-2)18-15(19)9-3-4-14(17)13(16)5-9/h3-8H,1-2H3,(H,18,19)
InChIKeyWOZXUHZMXSEKAG-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

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Related Compounds

3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide
CID 167951842
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
CID 103706368
4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62814066
3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
CID 107952344
N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide (CID 103706313) is 3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide is COc1cc(NC(=O)c2ccc(F)c(Br)c2)cc(OC)c1.
What is the InChIKey of 3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide?
The InChIKey is WOZXUHZMXSEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-20-11-6-10(7-12(8-11)21-2)18-15(19)9-3-4-14(17)13(16)5-9/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide?
3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide 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 3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 103706313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).