2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide

C15H12BrClFNO2 — CID 115678420

IUPAC2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2c(F)cccc2Br)cc1Cl
InChIInChI=1S/C15H12BrClFNO2/c1-2-21-13-7-6-9(8-11(13)17)19-15(20)14-10(16)4-3-5-12(14)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyGZHDNUFFRUZDMK-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.89
Rot. Bonds4

About 2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide

2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide (PubChem CID 115678420) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is 2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide
PubChem CID115678420
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2c(F)cccc2Br)cc1Cl
InChIInChI=1S/C15H12BrClFNO2/c1-2-21-13-7-6-9(8-11(13)17)19-15(20)14-10(16)4-3-5-12(14)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyGZHDNUFFRUZDMK-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-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
CID 17021884
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide
CID 115540160
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide
CID 115171854
2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide (CID 115678420) is 2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide is CCOc1ccc(NC(=O)c2c(F)cccc2Br)cc1Cl.
What is the InChIKey of 2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide?
The InChIKey is GZHDNUFFRUZDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-2-21-13-7-6-9(8-11(13)17)19-15(20)14-10(16)4-3-5-12(14)18/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide?
2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-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-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide is sourced from PubChem (CID 115678420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).