3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide

C15H12BrF2NO2 — CID 103706921

IUPAC3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
SMILESCCOc1cc(F)ccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H12BrF2NO2/c1-2-21-14-8-10(17)4-6-13(14)19-15(20)9-3-5-12(18)11(16)7-9/h3-8H,2H2,1H3,(H,19,20)
InChIKeyDIDSOANEZISXJO-UHFFFAOYSA-N
MW356.17 g/mol
LogP4.38
Rot. Bonds4

About 3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide

3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide (PubChem CID 103706921) has the molecular formula C15H12BrF2NO2 and a molecular weight of 356.17 g/mol. Its IUPAC name is 3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
PubChem CID103706921
Molecular FormulaC15H12BrF2NO2
Molecular Weight356.17 g/mol
Exact Mass355.00
IUPAC Name3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
SMILESCCOc1cc(F)ccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H12BrF2NO2/c1-2-21-14-8-10(17)4-6-13(14)19-15(20)9-3-5-12(18)11(16)7-9/h3-8H,2H2,1H3,(H,19,20)
InChIKeyDIDSOANEZISXJO-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

3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
N-(2-ethoxy-4-fluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61294013
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
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
methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate
CID 87006237
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
2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide
CID 103853379
N-(2-ethoxy-4-fluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87006231

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide (CID 103706921) is 3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide is CCOc1cc(F)ccc1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide?
The InChIKey is DIDSOANEZISXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2/c1-2-21-14-8-10(17)4-6-13(14)19-15(20)9-3-5-12(18)11(16)7-9/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide?
3-bromo-N-(2-ethoxy-4-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-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 103706921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).