N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide

C17H14F4N2O2 — CID 24594828

IUPACN-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F4N2O2/c1-9(10-2-5-13(19)15(21)6-10)23-16(24)8-22-17(25)12-4-3-11(18)7-14(12)20/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
InChIKeyWSBRLZZPSYKYEO-UHFFFAOYSA-N
MW354.30 g/mol
LogP2.85
Rot. Bonds5

About N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide

N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 24594828) has the molecular formula C17H14F4N2O2 and a molecular weight of 354.30 g/mol. Its IUPAC name is N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID24594828
Molecular FormulaC17H14F4N2O2
Molecular Weight354.30 g/mol
Exact Mass354.10
IUPAC NameN-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F4N2O2/c1-9(10-2-5-13(19)15(21)6-10)23-16(24)8-22-17(25)12-4-3-11(18)7-14(12)20/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
InChIKeyWSBRLZZPSYKYEO-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 41176986
2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 24594478
2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18112632
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298
N-[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 40813476
N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192686
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 110004153
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 26001629

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide (CID 24594828) is N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide is CC(NC(=O)CNC(=O)c1ccc(F)cc1F)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is WSBRLZZPSYKYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O2/c1-9(10-2-5-13(19)15(21)6-10)23-16(24)8-22-17(25)12-4-3-11(18)7-14(12)20/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 354.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 24594828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).