N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide

C15H10F4N2O2 — CID 51106132

IUPACN-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H10F4N2O2/c1-7(22)20-13-5-11(18)12(19)6-14(13)21-15(23)8-2-9(16)4-10(17)3-8/h2-6H,1H3,(H,20,22)(H,21,23)
InChIKeyUAVCBQYJECZJGE-UHFFFAOYSA-N
MW326.25 g/mol
LogP3.45
Rot. Bonds3

About N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide

N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide (PubChem CID 51106132) has the molecular formula C15H10F4N2O2 and a molecular weight of 326.25 g/mol. Its IUPAC name is N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide
PubChem CID51106132
Molecular FormulaC15H10F4N2O2
Molecular Weight326.25 g/mol
Exact Mass326.07
IUPAC NameN-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H10F4N2O2/c1-7(22)20-13-5-11(18)12(19)6-14(13)21-15(23)8-2-9(16)4-10(17)3-8/h2-6H,1H3,(H,20,22)(H,21,23)
InChIKeyUAVCBQYJECZJGE-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide
CID 44586466
N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 47093191
3,5-difluoro-N-(2-hydroxyphenyl)benzamide
CID 17396762
N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide
CID 62098085
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide
CID 18076884
3,5-difluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368320
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide
CID 119308430
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide?
The IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide (CID 51106132) is N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide is CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide?
The InChIKey is UAVCBQYJECZJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O2/c1-7(22)20-13-5-11(18)12(19)6-14(13)21-15(23)8-2-9(16)4-10(17)3-8/h2-6H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide?
N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide has a molecular weight of 326.25 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide is sourced from PubChem (CID 51106132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).