3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide

C17H17BrFNO4 — CID 86926604

IUPAC3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2OC)cc1OC
InChIInChI=1S/C17H17BrFNO4/c1-4-24-16-12(18)7-10(8-15(16)23-3)17(21)20-13-6-5-11(19)9-14(13)22-2/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyXDCYXKBELLSGCN-UHFFFAOYSA-N
MW398.23 g/mol
LogP4.26
Rot. Bonds6

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

3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide (PubChem CID 86926604) has the molecular formula C17H17BrFNO4 and a molecular weight of 398.23 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
PubChem CID86926604
Molecular FormulaC17H17BrFNO4
Molecular Weight398.23 g/mol
Exact Mass397.03
IUPAC Name3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2OC)cc1OC
InChIInChI=1S/C17H17BrFNO4/c1-4-24-16-12(18)7-10(8-15(16)23-3)17(21)20-13-6-5-11(19)9-14(13)22-2/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyXDCYXKBELLSGCN-UHFFFAOYSA-N
XLogP4.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
CID 4814298
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
CID 42057269
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide
CID 7930887
3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
CID 103706921
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 26239702
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 35865220
3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide
CID 26363010

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide (CID 86926604) is 3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2OC)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide?
The InChIKey is XDCYXKBELLSGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO4/c1-4-24-16-12(18)7-10(8-15(16)23-3)17(21)20-13-6-5-11(19)9-14(13)22-2/h5-9H,4H2,1-3H3,(H,20,21).
What are the key properties of 3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide?
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide has a molecular weight of 398.23 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide is sourced from PubChem (CID 86926604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).