2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide

C17H18FN3O2 — CID 2608827

IUPAC2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-21(11-16(22)19-14-5-3-2-4-6-14)12-17(23)20-15-9-7-13(18)8-10-15/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyIMHFLTWWTZELJO-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.33
Rot. Bonds6

About 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide

2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide (PubChem CID 2608827) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
PubChem CID2608827
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-21(11-16(22)19-14-5-3-2-4-6-14)12-17(23)20-15-9-7-13(18)8-10-15/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyIMHFLTWWTZELJO-UHFFFAOYSA-N
XLogP2.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253301
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide
CID 9252985
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide
CID 55639254
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]amino]acetamide
CID 9253582
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide (CID 2608827) is 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide is CN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide?
The InChIKey is IMHFLTWWTZELJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-21(11-16(22)19-14-5-3-2-4-6-14)12-17(23)20-15-9-7-13(18)8-10-15/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide?
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide has a molecular weight of 315.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide is sourced from PubChem (CID 2608827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).