N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide

C19H17N5O3 — CID 7912920

IUPACN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C19H17N5O3/c1-11(13-6-5-7-14(10-13)20-12(2)25)21-24-19(27)17-15-8-3-4-9-16(15)18(26)23-22-17/h3-10H,1-2H3,(H,20,25)(H,23,26)(H,24,27)/b21-11-
InChIKeyUZQSSNBIIHMMFM-NHDPSOOVSA-N
MW363.38 g/mol
LogP2.04
Rot. Bonds4

About N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide

N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 7912920) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID7912920
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C19H17N5O3/c1-11(13-6-5-7-14(10-13)20-12(2)25)21-24-19(27)17-15-8-3-4-9-16(15)18(26)23-22-17/h3-10H,1-2H3,(H,20,25)(H,23,26)(H,24,27)/b21-11-
InChIKeyUZQSSNBIIHMMFM-NHDPSOOVSA-N
XLogP2.04
TPSA116.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176920
N-[1-(3-acetamidophenyl)ethylideneamino]-3-benzyl-4-oxophthalazine-1-carboxamide
CID 4203071
N-[(E)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 166179270
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
N-[(Z)-1-(2,4-dichloro-5-fluorophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176910
[2-(3-acetylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530712
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176977
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
CID 6217170
4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 17349534
N-[(Z)-hexan-2-ylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9177023
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
N-[(Z)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 8785024

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide (CID 7912920) is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide is CC(=O)Nc1cccc(/C(C)=N\NC(=O)c2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is UZQSSNBIIHMMFM-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11(13-6-5-7-14(10-13)20-12(2)25)21-24-19(27)17-15-8-3-4-9-16(15)18(26)23-22-17/h3-10H,1-2H3,(H,20,25)(H,23,26)(H,24,27)/b21-11-.
What are the key properties of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 7912920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).