3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide

C15H12Br2FNO2 — CID 107980262

IUPAC3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H12Br2FNO2/c1-2-21-14-8-12(18)3-4-13(14)19-15(20)9-5-10(16)7-11(17)6-9/h3-8H,2H2,1H3,(H,19,20)
InChIKeyABCCAUJTYAKTFX-UHFFFAOYSA-N
MW417.07 g/mol
LogP5.00
Rot. Bonds4

About 3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide

3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide (PubChem CID 107980262) has the molecular formula C15H12Br2FNO2 and a molecular weight of 417.07 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
PubChem CID107980262
Molecular FormulaC15H12Br2FNO2
Molecular Weight417.07 g/mol
Exact Mass414.92
IUPAC Name3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H12Br2FNO2/c1-2-21-14-8-12(18)3-4-13(14)19-15(20)9-5-10(16)7-11(17)6-9/h3-8H,2H2,1H3,(H,19,20)
InChIKeyABCCAUJTYAKTFX-UHFFFAOYSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.07
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
CID 103706921
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303
4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 47268272
5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
CID 65311452
N-(2-ethoxy-4-fluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61294013
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
N-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47251252
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide
CID 103853379
N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80711042
methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate
CID 87006237

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide (CID 107980262) is 3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide is CCOc1cc(F)ccc1NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide?
The InChIKey is ABCCAUJTYAKTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO2/c1-2-21-14-8-12(18)3-4-13(14)19-15(20)9-5-10(16)7-11(17)6-9/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide?
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide has a molecular weight of 417.07 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide is sourced from PubChem (CID 107980262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).