[2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

C19H15N3O5 — CID 7530712

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C19H15N3O5/c1-11(23)12-5-4-6-13(9-12)20-16(24)10-27-19(26)17-14-7-2-3-8-15(14)18(25)22-21-17/h2-9H,10H2,1H3,(H,20,24)(H,22,25)
InChIKeyFFGSECCYWGAPFJ-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.92
Rot. Bonds5

About [2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

[2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate (PubChem CID 7530712) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
PubChem CID7530712
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C19H15N3O5/c1-11(23)12-5-4-6-13(9-12)20-16(24)10-27-19(26)17-14-7-2-3-8-15(14)18(25)22-21-17/h2-9H,10H2,1H3,(H,20,24)(H,22,25)
InChIKeyFFGSECCYWGAPFJ-UHFFFAOYSA-N
XLogP1.92
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530782
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785087
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(3-acetylanilino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate
CID 16502867
[2-(3-bromophenyl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530771
[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530760
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(2-methylpropylamino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785137
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7508565
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 7912920
[3-[(4-oxo-3H-phthalazine-1-carbonyl)oxymethyl]phenyl]methyl 4-oxo-3H-phthalazine-1-carboxylate
CID 30824495
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate (CID 7530712) is [2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate is CC(=O)c1cccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate?
The InChIKey is FFGSECCYWGAPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-11(23)12-5-4-6-13(9-12)20-16(24)10-27-19(26)17-14-7-2-3-8-15(14)18(25)22-21-17/h2-9H,10H2,1H3,(H,20,24)(H,22,25).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate?
[2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate has a molecular weight of 365.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate is sourced from PubChem (CID 7530712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).