[2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

C24H20FN3O4 — CID 4554981

IUPAC[2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C24H20FN3O4/c25-16-10-8-14(9-11-16)12-15-4-3-6-18-21(23(30)32-13-20(29)28-24(26)31)17-5-1-2-7-19(17)27-22(15)18/h1-2,5,7-12H,3-4,6,13H2,(H3,26,28,29,31)
InChIKeyZLOLQKJWMUTVAG-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.60
Rot. Bonds4

About [2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

[2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 4554981) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID4554981
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C24H20FN3O4/c25-16-10-8-14(9-11-16)12-15-4-3-6-18-21(23(30)32-13-20(29)28-24(26)31)17-5-1-2-7-19(17)27-22(15)18/h1-2,5,7-12H,3-4,6,13H2,(H3,26,28,29,31)
InChIKeyZLOLQKJWMUTVAG-UHFFFAOYSA-N
XLogP3.60
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate with MolForge

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 71953573
[2-(carbamoylamino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6213343
[2-(ethylamino)-2-oxoethyl] (4E)-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6213329
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
CID 16535171
[2-(carbamoylamino)-2-oxoethyl] 3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 5027139
(4-fluorophenyl)methyl (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 7855219
phenacyl 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 4988283
[2-oxo-2-(4-phenylphenyl)ethyl] (4E)-4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 135580258
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (4Z)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
CID 98409585
[2-(methylcarbamoylamino)-2-oxoethyl] (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 16535438
[2-(cyclopropylamino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6018077
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6524520

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (CID 4554981) is [2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(F)cc1)CCC2.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is ZLOLQKJWMUTVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c25-16-10-8-14(9-11-16)12-15-4-3-6-18-21(23(30)32-13-20(29)28-24(26)31)17-5-1-2-7-19(17)27-22(15)18/h1-2,5,7-12H,3-4,6,13H2,(H3,26,28,29,31).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
[2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 433.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 4554981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).