3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide

C15H12BrF2NO2 — CID 103706990

IUPAC3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1F
InChIInChI=1S/C15H12BrF2NO2/c1-2-21-14-6-4-10(8-13(14)18)19-15(20)9-3-5-12(17)11(16)7-9/h3-8H,2H2,1H3,(H,19,20)
InChIKeyBYAGHLOFBXQEHO-UHFFFAOYSA-N
MW356.17 g/mol
LogP4.38
Rot. Bonds4

About 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide

3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide (PubChem CID 103706990) has the molecular formula C15H12BrF2NO2 and a molecular weight of 356.17 g/mol. Its IUPAC name is 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
PubChem CID103706990
Molecular FormulaC15H12BrF2NO2
Molecular Weight356.17 g/mol
Exact Mass355.00
IUPAC Name3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1F
InChIInChI=1S/C15H12BrF2NO2/c1-2-21-14-6-4-10(8-13(14)18)19-15(20)9-3-5-12(17)11(16)7-9/h3-8H,2H2,1H3,(H,19,20)
InChIKeyBYAGHLOFBXQEHO-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 102852031
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide
CID 115993807
4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 115733832
3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
CID 103706921
2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide
CID 60538091
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
4-ethoxy-3-fluoro-N-(3-methoxyphenyl)benzamide
CID 110762258
3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
CID 107952344
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide (CID 103706990) is 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide is CCOc1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1F.
What is the InChIKey of 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide?
The InChIKey is BYAGHLOFBXQEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2/c1-2-21-14-6-4-10(8-13(14)18)19-15(20)9-3-5-12(17)11(16)7-9/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide?
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide has a molecular weight of 356.17 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 103706990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).