N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide

C24H17Cl2N5O3 — CID 2831899

IUPACN-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
SMILESO=C(NC(C(=O)NN=Cc1ccc(Cl)cc1Cl)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H17Cl2N5O3/c25-16-11-10-15(19(26)12-16)13-27-30-24(34)21(28-22(32)14-6-2-1-3-7-14)20-17-8-4-5-9-18(17)23(33)31-29-20/h1-13,21H,(H,28,32)(H,30,34)(H,31,33)
InChIKeyHXTQGFHDPALTHP-UHFFFAOYSA-N
MW494.34 g/mol
LogP3.85
Rot. Bonds6

About N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide

N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide (PubChem CID 2831899) has the molecular formula C24H17Cl2N5O3 and a molecular weight of 494.34 g/mol. Its IUPAC name is N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
PubChem CID2831899
Molecular FormulaC24H17Cl2N5O3
Molecular Weight494.34 g/mol
Exact Mass493.07
IUPAC NameN-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
SMILESO=C(NC(C(=O)NN=Cc1ccc(Cl)cc1Cl)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H17Cl2N5O3/c25-16-11-10-15(19(26)12-16)13-27-30-24(34)21(28-22(32)14-6-2-1-3-7-14)20-17-8-4-5-9-18(17)23(33)31-29-20/h1-13,21H,(H,28,32)(H,30,34)(H,31,33)
InChIKeyHXTQGFHDPALTHP-UHFFFAOYSA-N
XLogP3.85
TPSA116.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.34
LogP ≤ 53.85
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'}

Analyze N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 136906234
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 135650836
N-[(1S)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 92957493
N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 135650876
N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2E)-2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6867420
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176992
N-[2-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 4223197
N-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 2833448
N-[2-[2-[(4-cyanophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 3265304
N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
CID 97046203
N-[(1S)-2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 92847195
N-[2-[2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 3831131

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
The IUPAC name of N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide (CID 2831899) is N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
The canonical SMILES for N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is O=C(NC(C(=O)NN=Cc1ccc(Cl)cc1Cl)c1n[nH]c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
The InChIKey is HXTQGFHDPALTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N5O3/c25-16-11-10-15(19(26)12-16)13-27-30-24(34)21(28-22(32)14-6-2-1-3-7-14)20-17-8-4-5-9-18(17)23(33)31-29-20/h1-13,21H,(H,28,32)(H,30,34)(H,31,33).
What are the key properties of N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide?
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide has a molecular weight of 494.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 2831899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).