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

C16H14Br2FNO3 — CID 26363010

IUPAC3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(Br)cc2F)cc(Br)c1OC
InChIInChI=1S/C16H14Br2FNO3/c1-3-23-14-7-9(6-11(18)15(14)22-2)16(21)20-13-5-4-10(17)8-12(13)19/h4-8H,3H2,1-2H3,(H,20,21)
InChIKeyFWPFFTPZXOFAEB-UHFFFAOYSA-N
MW447.10 g/mol
LogP5.01
Rot. Bonds5

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

3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide (PubChem CID 26363010) has the molecular formula C16H14Br2FNO3 and a molecular weight of 447.10 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide
PubChem CID26363010
Molecular FormulaC16H14Br2FNO3
Molecular Weight447.10 g/mol
Exact Mass444.93
IUPAC Name3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(Br)cc2F)cc(Br)c1OC
InChIInChI=1S/C16H14Br2FNO3/c1-3-23-14-7-9(6-11(18)15(14)22-2)16(21)20-13-5-4-10(17)8-12(13)19/h4-8H,3H2,1-2H3,(H,20,21)
InChIKeyFWPFFTPZXOFAEB-UHFFFAOYSA-N
XLogP5.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.10
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide
CID 7930887
3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
CID 61090839
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
CID 26663505
3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
CID 4814298
N-(4-bromo-2-fluorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532466
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
N-(4-bromo-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
CID 134017875
3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 35865220
3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
CID 24673293
3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
CID 103706921
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide (CID 26363010) is 3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)Nc2ccc(Br)cc2F)cc(Br)c1OC.
What is the InChIKey of 3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide?
The InChIKey is FWPFFTPZXOFAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2FNO3/c1-3-23-14-7-9(6-11(18)15(14)22-2)16(21)20-13-5-4-10(17)8-12(13)19/h4-8H,3H2,1-2H3,(H,20,21).
What are the key properties of 3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide?
3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide has a molecular weight of 447.10 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 26363010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).