2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide

C16H15BrFNO3 — CID 60538091

IUPAC2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide
SMILESCCOc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1F
InChIInChI=1S/C16H15BrFNO3/c1-3-22-15-7-4-10(8-14(15)18)19-16(20)12-9-11(21-2)5-6-13(12)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyFKLZUMHOECYAAG-UHFFFAOYSA-N
MW368.20 g/mol
LogP4.25
Rot. Bonds5

About 2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide

2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide (PubChem CID 60538091) has the molecular formula C16H15BrFNO3 and a molecular weight of 368.20 g/mol. Its IUPAC name is 2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide
PubChem CID60538091
Molecular FormulaC16H15BrFNO3
Molecular Weight368.20 g/mol
Exact Mass367.02
IUPAC Name2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide
SMILESCCOc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1F
InChIInChI=1S/C16H15BrFNO3/c1-3-22-15-7-4-10(8-14(15)18)19-16(20)12-9-11(21-2)5-6-13(12)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyFKLZUMHOECYAAG-UHFFFAOYSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
CID 33309581
N-(4-ethoxy-3-fluorophenyl)-2-hydroxybenzamide
CID 47314298
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 115678718
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
4-ethoxy-3-fluoro-N-(3-methoxyphenyl)benzamide
CID 110762258
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide (CID 60538091) is 2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide is CCOc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1F.
What is the InChIKey of 2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide?
The InChIKey is FKLZUMHOECYAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO3/c1-3-22-15-7-4-10(8-14(15)18)19-16(20)12-9-11(21-2)5-6-13(12)17/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide?
2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide has a molecular weight of 368.20 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide is sourced from PubChem (CID 60538091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).