[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

C28H21ClN2O4 — CID 6260250

IUPAC[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
SMILESO=C(N/N=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H21ClN2O4/c29-24-13-9-23(10-14-24)28(33)35-26-8-4-7-21(17-26)18-30-31-27(32)22-11-15-25(16-12-22)34-19-20-5-2-1-3-6-20/h1-18H,19H2,(H,31,32)/b30-18-
InChIKeyXSACUHWLTFGKIT-YKQZZPSBSA-N
MW484.94 g/mol
LogP5.90
Rot. Bonds8

About [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate (PubChem CID 6260250) has the molecular formula C28H21ClN2O4 and a molecular weight of 484.94 g/mol. Its IUPAC name is [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
PubChem CID6260250
Molecular FormulaC28H21ClN2O4
Molecular Weight484.94 g/mol
Exact Mass484.12
IUPAC Name[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
SMILESO=C(N/N=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H21ClN2O4/c29-24-13-9-23(10-14-24)28(33)35-26-8-4-7-21(17-26)18-30-31-27(32)22-11-15-25(16-12-22)34-19-20-5-2-1-3-6-20/h1-18H,19H2,(H,31,32)/b30-18-
InChIKeyXSACUHWLTFGKIT-YKQZZPSBSA-N
XLogP5.90
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.94
LogP ≤ 55.90
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate 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

4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 6104777
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006
[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6261655
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117

Frequently Asked Questions

What is the IUPAC name of [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The IUPAC name of [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate (CID 6260250) is [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate.
What is the SMILES notation for [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The canonical SMILES for [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is O=C(N/N=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The InChIKey is XSACUHWLTFGKIT-YKQZZPSBSA-N. The full InChI is InChI=1S/C28H21ClN2O4/c29-24-13-9-23(10-14-24)28(33)35-26-8-4-7-21(17-26)18-30-31-27(32)22-11-15-25(16-12-22)34-19-20-5-2-1-3-6-20/h1-18H,19H2,(H,31,32)/b30-18-.
What are the key properties of [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate has a molecular weight of 484.94 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is sourced from PubChem (CID 6260250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).