2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide

C15H11Br2F2NO — CID 114372223

IUPAC2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H11Br2F2NO/c16-10-1-2-14(17)13(7-10)15(21)20-4-3-9-5-11(18)8-12(19)6-9/h1-2,5-8H,3-4H2,(H,20,21)
InChIKeyPRMHLQFIMXQSLL-UHFFFAOYSA-N
MW419.06 g/mol
LogP4.46
Rot. Bonds4

About 2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide

2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide (PubChem CID 114372223) has the molecular formula C15H11Br2F2NO and a molecular weight of 419.06 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide
PubChem CID114372223
Molecular FormulaC15H11Br2F2NO
Molecular Weight419.06 g/mol
Exact Mass416.92
IUPAC Name2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H11Br2F2NO/c16-10-1-2-14(17)13(7-10)15(21)20-4-3-9-5-11(18)8-12(19)6-9/h1-2,5-8H,3-4H2,(H,20,21)
InChIKeyPRMHLQFIMXQSLL-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.06
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 103989302
5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide
CID 113228849
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 62615626
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62615072
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
N-[2-(3,5-difluorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107028507
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide (CID 114372223) is 2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide is O=C(NCCc1cc(F)cc(F)c1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide?
The InChIKey is PRMHLQFIMXQSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2F2NO/c16-10-1-2-14(17)13(7-10)15(21)20-4-3-9-5-11(18)8-12(19)6-9/h1-2,5-8H,3-4H2,(H,20,21).
What are the key properties of 2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide?
2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide has a molecular weight of 419.06 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide is sourced from PubChem (CID 114372223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).