N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide

C25H23F2N3O3 — CID 2464527

IUPACN-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C25H23F2N3O3/c1-2-30(16-23(32)29-24-19(26)12-8-13-20(24)27)15-22(31)28-21-14-7-6-11-18(21)25(33)17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H,28,31)(H,29,32)
InChIKeyWNWYFFYDEUBZSF-UHFFFAOYSA-N
MW451.47 g/mol
LogP4.09
Rot. Bonds9

About N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide

N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide (PubChem CID 2464527) has the molecular formula C25H23F2N3O3 and a molecular weight of 451.47 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide
PubChem CID2464527
Molecular FormulaC25H23F2N3O3
Molecular Weight451.47 g/mol
Exact Mass451.17
IUPAC NameN-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C25H23F2N3O3/c1-2-30(16-23(32)29-24-19(26)12-8-13-20(24)27)15-22(31)28-21-14-7-6-11-18(21)25(33)17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H,28,31)(H,29,32)
InChIKeyWNWYFFYDEUBZSF-UHFFFAOYSA-N
XLogP4.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyanomethylsulfanyl)phenyl]-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 112769383
N-(2,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685460
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
N-(2-benzoylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880676
2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide
CID 60729755
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008696
2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113246293
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729554
N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide
CID 102142549
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 45372015
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide (CID 2464527) is N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide is CCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)CC(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide?
The InChIKey is WNWYFFYDEUBZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O3/c1-2-30(16-23(32)29-24-19(26)12-8-13-20(24)27)15-22(31)28-21-14-7-6-11-18(21)25(33)17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide?
N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide has a molecular weight of 451.47 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide is sourced from PubChem (CID 2464527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).