2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide

C15H13BrFNO — CID 113250708

IUPAC2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
SMILESCCc1cccc(NC(=O)c2c(F)cccc2Br)c1
InChIInChI=1S/C15H13BrFNO/c1-2-10-5-3-6-11(9-10)18-15(19)14-12(16)7-4-8-13(14)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyQFUIAGOYFISCND-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.40
Rot. Bonds3

About 2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide

2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide (PubChem CID 113250708) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
PubChem CID113250708
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
SMILESCCc1cccc(NC(=O)c2c(F)cccc2Br)c1
InChIInChI=1S/C15H13BrFNO/c1-2-10-5-3-6-11(9-10)18-15(19)14-12(16)7-4-8-13(14)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyQFUIAGOYFISCND-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide
CID 115678420
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
2-bromo-N-(2-ethyl-2-hydroxybutyl)-6-fluorobenzamide
CID 111780819
2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
3-amino-4-bromo-N-(3-ethylphenyl)benzamide
CID 61090789
2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide (CID 113250708) is 2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide is CCc1cccc(NC(=O)c2c(F)cccc2Br)c1.
What is the InChIKey of 2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide?
The InChIKey is QFUIAGOYFISCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-2-10-5-3-6-11(9-10)18-15(19)14-12(16)7-4-8-13(14)17/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide?
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide has a molecular weight of 322.18 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide is sourced from PubChem (CID 113250708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).