N-(3-acetylphenyl)-2,6-difluorobenzamide

C15H11F2NO2 — CID 776054

IUPACN-(3-acetylphenyl)-2,6-difluorobenzamide
SMILESCC(=O)c1cccc(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C15H11F2NO2/c1-9(19)10-4-2-5-11(8-10)18-15(20)14-12(16)6-3-7-13(14)17/h2-8H,1H3,(H,18,20)
InChIKeySRVXKVVKOIZERX-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.42
Rot. Bonds3

About N-(3-acetylphenyl)-2,6-difluorobenzamide

N-(3-acetylphenyl)-2,6-difluorobenzamide (PubChem CID 776054) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,6-difluorobenzamide
PubChem CID776054
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC NameN-(3-acetylphenyl)-2,6-difluorobenzamide
SMILESCC(=O)c1cccc(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C15H11F2NO2/c1-9(19)10-4-2-5-11(8-10)18-15(20)14-12(16)6-3-7-13(14)17/h2-8H,1H3,(H,18,20)
InChIKeySRVXKVVKOIZERX-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 27195
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CID 7168
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CID 18355
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CID 344131
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CID 759408
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CID 68497
CID 68497
CID 177852
CID 177852
CID 673706
CID 673706
CID 84347
CID 84347
CID 32487
CID 32487
CID 85655
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CID 23466
CID 23466

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(3-acetylphenyl)-2,6-difluorobenzamide (CID 776054) is N-(3-acetylphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(3-acetylphenyl)-2,6-difluorobenzamide is CC(=O)c1cccc(NC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,6-difluorobenzamide?
The InChIKey is SRVXKVVKOIZERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c1-9(19)10-4-2-5-11(8-10)18-15(20)14-12(16)6-3-7-13(14)17/h2-8H,1H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)-2,6-difluorobenzamide?
N-(3-acetylphenyl)-2,6-difluorobenzamide has a molecular weight of 275.25 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 776054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).