[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium

C20H24FN4O3+ — CID 8846329

IUPAC[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H23FN4O3/c1-3-22-20(28)24-19(27)18(14-8-5-4-6-9-14)25(2)13-17(26)23-16-11-7-10-15(21)12-16/h4-12,18H,3,13H2,1-2H3,(H,23,26)(H2,22,24,27,28)/p+1/t18-/m1/s1
InChIKeyLSRJYHBHJSOCJA-GOSISDBHSA-O
MW387.44 g/mol
LogP0.87
Rot. Bonds7

About [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (PubChem CID 8846329) has the molecular formula C20H24FN4O3+ and a molecular weight of 387.44 g/mol. Its IUPAC name is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
PubChem CID8846329
Molecular FormulaC20H24FN4O3+
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H23FN4O3/c1-3-22-20(28)24-19(27)18(14-8-5-4-6-9-14)25(2)13-17(26)23-16-11-7-10-15(21)12-16/h4-12,18H,3,13H2,1-2H3,(H,23,26)(H2,22,24,27,28)/p+1/t18-/m1/s1
InChIKeyLSRJYHBHJSOCJA-GOSISDBHSA-O
XLogP0.87
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8552805
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl]azanium
CID 8676462
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 9223796
[(2S)-1-amino-1-oxopropan-2-yl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223811
[(1S)-1-cyanoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223815
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-hydroxy-2-phenylacetamide
CID 111537513
N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040937
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9223749
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049751
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (CID 8846329) is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is CCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is LSRJYHBHJSOCJA-GOSISDBHSA-O. The full InChI is InChI=1S/C20H23FN4O3/c1-3-22-20(28)24-19(27)18(14-8-5-4-6-9-14)25(2)13-17(26)23-16-11-7-10-15(21)12-16/h4-12,18H,3,13H2,1-2H3,(H,23,26)(H2,22,24,27,28)/p+1/t18-/m1/s1.
What are the key properties of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 387.44 g/mol, XLogP of 0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8846329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).