3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide

C20H23FN4O3 — CID 55639254

IUPAC3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide
SMILESCN(CC(=O)Nc1ccccc1)CC(=O)N(CCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O3/c1-24(13-19(27)23-16-5-3-2-4-6-16)14-20(28)25(12-11-18(22)26)17-9-7-15(21)8-10-17/h2-10H,11-14H2,1H3,(H2,22,26)(H,23,27)
InChIKeyLERSYYGCMOIPFC-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.60
Rot. Bonds9

About 3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide

3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide (PubChem CID 55639254) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide
PubChem CID55639254
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide
SMILESCN(CC(=O)Nc1ccccc1)CC(=O)N(CCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O3/c1-24(13-19(27)23-16-5-3-2-4-6-16)14-20(28)25(12-11-18(22)26)17-9-7-15(21)8-10-17/h2-10H,11-14H2,1H3,(H2,22,26)(H,23,27)
InChIKeyLERSYYGCMOIPFC-UHFFFAOYSA-N
XLogP1.60
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide
CID 34698785
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
CID 34721565
4-[[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37214883
3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
CID 34688622
3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide
CID 24560999
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 86891096
3-(N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]acetyl]-4-fluoroanilino)propanamide
CID 34693159
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide?
The IUPAC name of 3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide (CID 55639254) is 3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide.
What is the SMILES notation for 3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide?
The canonical SMILES for 3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide is CN(CC(=O)Nc1ccccc1)CC(=O)N(CCC(N)=O)c1ccc(F)cc1.
What is the InChIKey of 3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide?
The InChIKey is LERSYYGCMOIPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-24(13-19(27)23-16-5-3-2-4-6-16)14-20(28)25(12-11-18(22)26)17-9-7-15(21)8-10-17/h2-10H,11-14H2,1H3,(H2,22,26)(H,23,27).
What are the key properties of 3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide?
3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide has a molecular weight of 386.43 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide is sourced from PubChem (CID 55639254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).