2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide

C15H12BrClFNO2 — CID 55821778

IUPAC2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H12BrClFNO2/c1-2-21-14-6-3-9(17)7-13(14)19-15(20)11-5-4-10(18)8-12(11)16/h3-8H,2H2,1H3,(H,19,20)
InChIKeyJKPUGCCHQLNEDM-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.89
Rot. Bonds4

About 2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide

2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide (PubChem CID 55821778) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is 2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
PubChem CID55821778
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H12BrClFNO2/c1-2-21-14-6-3-9(17)7-13(14)19-15(20)11-5-4-10(18)8-12(11)16/h3-8H,2H2,1H3,(H,19,20)
InChIKeyJKPUGCCHQLNEDM-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
2-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 79703321
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
2-bromo-4-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 103763825
N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380454
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide (CID 55821778) is 2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide is CCOc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide?
The InChIKey is JKPUGCCHQLNEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-2-21-14-6-3-9(17)7-13(14)19-15(20)11-5-4-10(18)8-12(11)16/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide?
2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide has a molecular weight of 372.62 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 55821778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).