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

C14H9Br2F2NO — CID 114372361

IUPAC2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1cc(F)ccc1F)c1cc(Br)ccc1Br
InChIInChI=1S/C14H9Br2F2NO/c15-9-1-3-12(16)11(6-9)14(20)19-7-8-5-10(17)2-4-13(8)18/h1-6H,7H2,(H,19,20)
InChIKeyGFHNFVQTQGZYIY-UHFFFAOYSA-N
MW405.04 g/mol
LogP4.42
Rot. Bonds3

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

2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide (PubChem CID 114372361) has the molecular formula C14H9Br2F2NO and a molecular weight of 405.04 g/mol. Its IUPAC name is 2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
PubChem CID114372361
Molecular FormulaC14H9Br2F2NO
Molecular Weight405.04 g/mol
Exact Mass402.90
IUPAC Name2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1cc(F)ccc1F)c1cc(Br)ccc1Br
InChIInChI=1S/C14H9Br2F2NO/c15-9-1-3-12(16)11(6-9)14(20)19-7-8-5-10(17)2-4-13(8)18/h1-6H,7H2,(H,19,20)
InChIKeyGFHNFVQTQGZYIY-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-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107030046
2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
CID 63794966
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide (CID 114372361) is 2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide is O=C(NCc1cc(F)ccc1F)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide?
The InChIKey is GFHNFVQTQGZYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F2NO/c15-9-1-3-12(16)11(6-9)14(20)19-7-8-5-10(17)2-4-13(8)18/h1-6H,7H2,(H,19,20).
What are the key properties of 2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide?
2,5-dibromo-N-[(2,5-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-[(2,5-difluorophenyl)methyl]benzamide is sourced from PubChem (CID 114372361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).