2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide

C15H11Br2F2NO — CID 114371082

IUPAC2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C15H11Br2F2NO/c1-8(11-4-3-10(18)7-14(11)19)20-15(21)12-6-9(16)2-5-13(12)17/h2-8H,1H3,(H,20,21)
InChIKeyDACKGXGAESVHQI-UHFFFAOYSA-N
MW419.06 g/mol
LogP4.98
Rot. Bonds3

About 2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide

2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide (PubChem CID 114371082) has the molecular formula C15H11Br2F2NO and a molecular weight of 419.06 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
PubChem CID114371082
Molecular FormulaC15H11Br2F2NO
Molecular Weight419.06 g/mol
Exact Mass416.92
IUPAC Name2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C15H11Br2F2NO/c1-8(11-4-3-10(18)7-14(11)19)20-15(21)12-6-9(16)2-5-13(12)17/h2-8H,1H3,(H,20,21)
InChIKeyDACKGXGAESVHQI-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.06
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852174
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 107999356
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 112763839
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 51150401
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 51150413

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide (CID 114371082) is 2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide is CC(NC(=O)c1cc(Br)ccc1Br)c1ccc(F)cc1F.
What is the InChIKey of 2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide?
The InChIKey is DACKGXGAESVHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2F2NO/c1-8(11-4-3-10(18)7-14(11)19)20-15(21)12-6-9(16)2-5-13(12)17/h2-8H,1H3,(H,20,21).
What are the key properties of 2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide?
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide has a molecular weight of 419.06 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide is sourced from PubChem (CID 114371082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).