4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane

C17H18Br2FNO — CID 165118072

IUPAC4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane
SMILESCC.CCc1cc(NC(=O)c2ccc(Br)c(F)c2)ccc1Br
InChIInChI=1S/C15H12Br2FNO.C2H6/c1-2-9-7-11(4-6-12(9)16)19-15(20)10-3-5-13(17)14(18)8-10;1-2/h3-8H,2H2,1H3,(H,19,20);1-2H3
InChIKeyONZVOIGZDDAJFT-UHFFFAOYSA-N
MW431.14 g/mol
LogP6.19
Rot. Bonds3

About 4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane

4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane (PubChem CID 165118072) has the molecular formula C17H18Br2FNO and a molecular weight of 431.14 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane
PubChem CID165118072
Molecular FormulaC17H18Br2FNO
Molecular Weight431.14 g/mol
Exact Mass428.97
IUPAC Name4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane
SMILESCC.CCc1cc(NC(=O)c2ccc(Br)c(F)c2)ccc1Br
InChIInChI=1S/C15H12Br2FNO.C2H6/c1-2-9-7-11(4-6-12(9)16)19-15(20)10-3-5-13(17)14(18)8-10;1-2/h3-8H,2H2,1H3,(H,19,20);1-2H3
InChIKeyONZVOIGZDDAJFT-UHFFFAOYSA-N
XLogP6.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.14
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane?
The IUPAC name of 4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane (CID 165118072) is 4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane.
What is the SMILES notation for 4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane?
The canonical SMILES for 4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane is CC.CCc1cc(NC(=O)c2ccc(Br)c(F)c2)ccc1Br.
What is the InChIKey of 4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane?
The InChIKey is ONZVOIGZDDAJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO.C2H6/c1-2-9-7-11(4-6-12(9)16)19-15(20)10-3-5-13(17)14(18)8-10;1-2/h3-8H,2H2,1H3,(H,19,20);1-2H3.
What are the key properties of 4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane?
4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane has a molecular weight of 431.14 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane is sourced from PubChem (CID 165118072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).