[1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate

C34H26Cl2N2O5 — CID 4691929

IUPAC[1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
SMILESCC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C34H26Cl2N2O5/c1-22(42-27-15-13-26(14-16-27)41-21-23-7-3-2-4-8-23)33(39)38-37-20-30-28-10-6-5-9-24(28)11-18-32(30)43-34(40)29-17-12-25(35)19-31(29)36/h2-20,22H,21H2,1H3,(H,38,39)
InChIKeyRKNIKXJAONGRRQ-UHFFFAOYSA-N
MW613.50 g/mol
LogP7.86
Rot. Bonds10

About [1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate

[1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate (PubChem CID 4691929) has the molecular formula C34H26Cl2N2O5 and a molecular weight of 613.50 g/mol. Its IUPAC name is [1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
PubChem CID4691929
Molecular FormulaC34H26Cl2N2O5
Molecular Weight613.50 g/mol
Exact Mass612.12
IUPAC Name[1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
SMILESCC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C34H26Cl2N2O5/c1-22(42-27-15-13-26(14-16-27)41-21-23-7-3-2-4-8-23)33(39)38-37-20-30-28-10-6-5-9-24(28)11-18-32(30)43-34(40)29-17-12-25(35)19-31(29)36/h2-20,22H,21H2,1H3,(H,38,39)
InChIKeyRKNIKXJAONGRRQ-UHFFFAOYSA-N
XLogP7.86
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.50
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze [1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate 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

[1-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 51060167
[1-[[2-(3-chlorophenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 3636885
[1-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 45055239
[1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 4077336
[1-[[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 4200719
[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6305314
2-(2,4-dichlorophenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 3295271
[1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4152788
[1-[[(2-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3739553
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
[1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 4987854
[1-[[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3743667

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
The IUPAC name of [1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate (CID 4691929) is [1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate.
What is the SMILES notation for [1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
The canonical SMILES for [1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is CC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12.
What is the InChIKey of [1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
The InChIKey is RKNIKXJAONGRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Cl2N2O5/c1-22(42-27-15-13-26(14-16-27)41-21-23-7-3-2-4-8-23)33(39)38-37-20-30-28-10-6-5-9-24(28)11-18-32(30)43-34(40)29-17-12-25(35)19-31(29)36/h2-20,22H,21H2,1H3,(H,38,39).
What are the key properties of [1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
[1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate has a molecular weight of 613.50 g/mol, XLogP of 7.86, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is sourced from PubChem (CID 4691929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).