3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide

C16H14Br2FNO — CID 107980294

IUPAC3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H14Br2FNO/c1-10(14-5-3-4-6-15(14)19)20(2)16(21)11-7-12(17)9-13(18)8-11/h3-10H,1-2H3
InChIKeyQAKAXOANNQNWJF-UHFFFAOYSA-N
MW415.10 g/mol
LogP5.18
Rot. Bonds3

About 3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide

3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide (PubChem CID 107980294) has the molecular formula C16H14Br2FNO and a molecular weight of 415.10 g/mol. Its IUPAC name is 3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
PubChem CID107980294
Molecular FormulaC16H14Br2FNO
Molecular Weight415.10 g/mol
Exact Mass412.94
IUPAC Name3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H14Br2FNO/c1-10(14-5-3-4-6-15(14)19)20(2)16(21)11-7-12(17)9-13(18)8-11/h3-10H,1-2H3
InChIKeyQAKAXOANNQNWJF-UHFFFAOYSA-N
XLogP5.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.10
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107952079
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555
3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55718913
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
CID 107074457
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60939530
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62979099
5-bromo-2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62000841
2-amino-N-[1-(2-fluorophenyl)ethyl]-5-hydroxy-N-methylbenzamide
CID 107074458
1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone
CID 62978155
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103865191
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62978778

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide (CID 107980294) is 3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide is CC(c1ccccc1F)N(C)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
The InChIKey is QAKAXOANNQNWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2FNO/c1-10(14-5-3-4-6-15(14)19)20(2)16(21)11-7-12(17)9-13(18)8-11/h3-10H,1-2H3.
What are the key properties of 3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide?
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide has a molecular weight of 415.10 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 107980294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).