[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate

C25H15Cl3N2O3 — CID 6305314

IUPAC[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
SMILESO=C(N/N=C\c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H15Cl3N2O3/c26-16-10-11-18(22(28)13-16)24(31)30-29-14-20-17-6-2-1-5-15(17)9-12-23(20)33-25(32)19-7-3-4-8-21(19)27/h1-14H,(H,30,31)/b29-14-
InChIKeyMIZYJWBNIABPKR-NUJZUDFISA-N
MW497.77 g/mol
LogP6.78
Rot. Bonds5

About [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate

[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate (PubChem CID 6305314) has the molecular formula C25H15Cl3N2O3 and a molecular weight of 497.77 g/mol. Its IUPAC name is [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate.

Molecular Properties

Compound Name[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
PubChem CID6305314
Molecular FormulaC25H15Cl3N2O3
Molecular Weight497.77 g/mol
Exact Mass496.01
IUPAC Name[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
SMILESO=C(N/N=C\c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H15Cl3N2O3/c26-16-10-11-18(22(28)13-16)24(31)30-29-14-20-17-6-2-1-5-15(17)9-12-23(20)33-25(32)19-7-3-4-8-21(19)27/h1-14H,(H,30,31)/b29-14-
InChIKeyMIZYJWBNIABPKR-NUJZUDFISA-N
XLogP6.78
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.77
LogP ≤ 56.78
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[1-[[(2-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3739553
[1-[[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3743667
[1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 4987854
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6014791
[1-[[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 5092147
[1-[(tetradecanoylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3833996
[1-[(Z)-(dodecanoylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 6241959
[1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3950984
[1-[[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 3331599
[1-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3760583
[1-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 6060146
[1-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 51060167

Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
The IUPAC name of [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate (CID 6305314) is [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate.
What is the SMILES notation for [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
The canonical SMILES for [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is O=C(N/N=C\c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
The InChIKey is MIZYJWBNIABPKR-NUJZUDFISA-N. The full InChI is InChI=1S/C25H15Cl3N2O3/c26-16-10-11-18(22(28)13-16)24(31)30-29-14-20-17-6-2-1-5-15(17)9-12-23(20)33-25(32)19-7-3-4-8-21(19)27/h1-14H,(H,30,31)/b29-14-.
What are the key properties of [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate has a molecular weight of 497.77 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is sourced from PubChem (CID 6305314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).