[4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate

C25H16Cl2N2O3 — CID 3837309

IUPAC[4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate
SMILESO=C(NN=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H16Cl2N2O3/c26-22-12-9-20(14-23(22)27)25(31)32-21-10-5-16(6-11-21)15-28-29-24(30)19-8-7-17-3-1-2-4-18(17)13-19/h1-15H,(H,29,30)
InChIKeyMUVIACDXXFLGDB-UHFFFAOYSA-N
MW463.32 g/mol
LogP6.13
Rot. Bonds5

About [4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate

[4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate (PubChem CID 3837309) has the molecular formula C25H16Cl2N2O3 and a molecular weight of 463.32 g/mol. Its IUPAC name is [4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate.

Molecular Properties

Compound Name[4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate
PubChem CID3837309
Molecular FormulaC25H16Cl2N2O3
Molecular Weight463.32 g/mol
Exact Mass462.05
IUPAC Name[4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate
SMILESO=C(NN=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H16Cl2N2O3/c26-22-12-9-20(14-23(22)27)25(31)32-21-10-5-16(6-11-21)15-28-29-24(30)19-8-7-17-3-1-2-4-18(17)13-19/h1-15H,(H,29,30)
InChIKeyMUVIACDXXFLGDB-UHFFFAOYSA-N
XLogP6.13
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 56.13
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

(3,4-dichlorophenyl) naphthalene-2-carboxylate
CID 7959552
[4-[(E)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 51060563
[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6031077
[4-[(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 1048703
[1-[[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 4063401
[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3702836
[4-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 45054745
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3793766
[4-[(benzoylhydrazinylidene)methyl]phenyl] 3-methylbenzoate
CID 4244003
[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 110512271
3,4-dichloro-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 45055318
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845

Frequently Asked Questions

What is the IUPAC name of [4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate?
The IUPAC name of [4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate (CID 3837309) is [4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate.
What is the SMILES notation for [4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate?
The canonical SMILES for [4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate is O=C(NN=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of [4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate?
The InChIKey is MUVIACDXXFLGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2O3/c26-22-12-9-20(14-23(22)27)25(31)32-21-10-5-16(6-11-21)15-28-29-24(30)19-8-7-17-3-1-2-4-18(17)13-19/h1-15H,(H,29,30).
What are the key properties of [4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate?
[4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate has a molecular weight of 463.32 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate is sourced from PubChem (CID 3837309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).