N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide

C15H12F3NO — CID 60737307

IUPACN-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H12F3NO/c1-9(13-8-12(17)6-7-14(13)18)19-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,19,20)
InChIKeyGPPBLNJTJKXFID-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.59
Rot. Bonds3

About N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide

N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide (PubChem CID 60737307) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
PubChem CID60737307
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H12F3NO/c1-9(13-8-12(17)6-7-14(13)18)19-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,19,20)
InChIKeyGPPBLNJTJKXFID-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[1-(2,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852163
N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 46460775
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114325748
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-(2-cyanoethylsulfamoyl)-N-[1-(2,5-difluorophenyl)ethyl]benzamide
CID 46591250
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 26172289
N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61276301
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide
CID 114327764
N-[1-(2,5-difluorophenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60737083
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide (CID 60737307) is N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide?
The InChIKey is GPPBLNJTJKXFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-9(13-8-12(17)6-7-14(13)18)19-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,19,20).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide?
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide has a molecular weight of 279.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 60737307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).