3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide

C15H12BrF2NO — CID 103706763

IUPAC3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
SMILESCCN(C(=O)c1ccc(F)c(Br)c1)c1cccc(F)c1
InChIInChI=1S/C15H12BrF2NO/c1-2-19(12-5-3-4-11(17)9-12)15(20)10-6-7-14(18)13(16)8-10/h3-9H,2H2,1H3
InChIKeyXNEDYZIMGGYHCD-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.39
Rot. Bonds3

About 3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide

3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide (PubChem CID 103706763) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
PubChem CID103706763
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
SMILESCCN(C(=O)c1ccc(F)c(Br)c1)c1cccc(F)c1
InChIInChI=1S/C15H12BrF2NO/c1-2-19(12-5-3-4-11(17)9-12)15(20)10-6-7-14(18)13(16)8-10/h3-9H,2H2,1H3
InChIKeyXNEDYZIMGGYHCD-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
CID 107952279
N-ethyl-N-(3-fluorophenyl)-1H-indazole-6-carboxamide
CID 62905806
2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
CID 103841255
N-(3-aminophenyl)-3-bromo-N-ethyl-4-methylbenzamide
CID 81471443
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
CID 60661053
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 113244776
5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
CID 62179424

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide (CID 103706763) is 3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide is CCN(C(=O)c1ccc(F)c(Br)c1)c1cccc(F)c1.
What is the InChIKey of 3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide?
The InChIKey is XNEDYZIMGGYHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-2-19(12-5-3-4-11(17)9-12)15(20)10-6-7-14(18)13(16)8-10/h3-9H,2H2,1H3.
What are the key properties of 3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide?
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide has a molecular weight of 340.17 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 103706763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).