N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide

C15H12BrCl2NO2 — CID 30208430

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H12BrCl2NO2/c1-2-21-14-11(16)7-9(17)8-13(14)19-15(20)10-5-3-4-6-12(10)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyOESOZWWEEZMZPX-UHFFFAOYSA-N
MW389.08 g/mol
LogP5.41
Rot. Bonds4

About N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide

N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide (PubChem CID 30208430) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
PubChem CID30208430
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H12BrCl2NO2/c1-2-21-14-11(16)7-9(17)8-13(14)19-15(20)10-5-3-4-6-12(10)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyOESOZWWEEZMZPX-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.08
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide (CID 30208430) is N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide is CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide?
The InChIKey is OESOZWWEEZMZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c1-2-21-14-11(16)7-9(17)8-13(14)19-15(20)10-5-3-4-6-12(10)18/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide?
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide has a molecular weight of 389.08 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide is sourced from PubChem (CID 30208430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).