2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide

C15H12BrF2NO — CID 51206122

IUPAC2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1Br)c1cccc(F)c1
InChIInChI=1S/C15H12BrF2NO/c1-9(10-3-2-4-11(17)7-10)19-15(20)13-6-5-12(18)8-14(13)16/h2-9H,1H3,(H,19,20)
InChIKeyWPKXHTMLMBDYBU-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.22
Rot. Bonds3

About 2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide

2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide (PubChem CID 51206122) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
PubChem CID51206122
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1Br)c1cccc(F)c1
InChIInChI=1S/C15H12BrF2NO/c1-9(10-3-2-4-11(17)7-10)19-15(20)13-6-5-12(18)8-14(13)16/h2-9H,1H3,(H,19,20)
InChIKeyWPKXHTMLMBDYBU-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 24708890
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2-bromo-4-fluoro-N-[1-(3-nitrophenyl)ethyl]benzamide
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2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
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4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 107025551
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4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
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2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
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N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide (CID 51206122) is 2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(F)cc1Br)c1cccc(F)c1.
What is the InChIKey of 2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is WPKXHTMLMBDYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-9(10-3-2-4-11(17)7-10)19-15(20)13-6-5-12(18)8-14(13)16/h2-9H,1H3,(H,19,20).
What are the key properties of 2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide?
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 340.17 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 51206122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).