N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C23H18N4O2 — CID 24574917

IUPACN-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N4O2/c28-21(15-20-18-13-7-8-14-19(18)23(29)27-24-20)25-26-22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,28)(H,27,29)
InChIKeyOCBFUAJCCIUIMM-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.03
Rot. Bonds5

About N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 24574917) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID24574917
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N4O2/c28-21(15-20-18-13-7-8-14-19(18)23(29)27-24-20)25-26-22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,28)(H,27,29)
InChIKeyOCBFUAJCCIUIMM-UHFFFAOYSA-N
XLogP3.03
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 166198338
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 21229816
2-(4-oxo-3H-phthalazin-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 21213713
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide
CID 17472409
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17406582
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 24574917) is N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is OCBFUAJCCIUIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-21(15-20-18-13-7-8-14-19(18)23(29)27-24-20)25-26-22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,28)(H,27,29).
What are the key properties of N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 24574917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).