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

C14H9Br2F2NO — CID 114372185

IUPAC2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1F)c1cc(Br)ccc1Br
InChIInChI=1S/C14H9Br2F2NO/c15-9-2-4-12(16)11(5-9)14(20)19-7-8-1-3-10(17)6-13(8)18/h1-6H,7H2,(H,19,20)
InChIKeyPPHWHYHETUZUJC-UHFFFAOYSA-N
MW405.04 g/mol
LogP4.42
Rot. Bonds3

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

2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide (PubChem CID 114372185) has the molecular formula C14H9Br2F2NO and a molecular weight of 405.04 g/mol. Its IUPAC name is 2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
PubChem CID114372185
Molecular FormulaC14H9Br2F2NO
Molecular Weight405.04 g/mol
Exact Mass402.90
IUPAC Name2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1F)c1cc(Br)ccc1Br
InChIInChI=1S/C14H9Br2F2NO/c15-9-2-4-12(16)11(5-9)14(20)19-7-8-1-3-10(17)6-13(8)18/h1-6H,7H2,(H,19,20)
InChIKeyPPHWHYHETUZUJC-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.04
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941
2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323
3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 103985523
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 52560940
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
CID 63359561
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide
CID 114374315
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide (CID 114372185) is 2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1F)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide?
The InChIKey is PPHWHYHETUZUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F2NO/c15-9-2-4-12(16)11(5-9)14(20)19-7-8-1-3-10(17)6-13(8)18/h1-6H,7H2,(H,19,20).
What are the key properties of 2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide?
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide has a molecular weight of 405.04 g/mol, XLogP of 4.42, 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-[(2,4-difluorophenyl)methyl]benzamide is sourced from PubChem (CID 114372185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).