[4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

C28H20BrClN2O4 — CID 5165137

IUPAC[4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
SMILESO=C(Oc1ccc(C=NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1)c1ccccc1Br
InChIInChI=1S/C28H20BrClN2O4/c29-25-7-3-1-5-23(25)28(34)36-22-15-11-19(12-16-22)17-31-32-27(33)24-6-2-4-8-26(24)35-18-20-9-13-21(30)14-10-20/h1-17H,18H2,(H,32,33)
InChIKeyNOCWPBVWVJNRQC-UHFFFAOYSA-N
MW563.84 g/mol
LogP6.66
Rot. Bonds8

About [4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

[4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate (PubChem CID 5165137) has the molecular formula C28H20BrClN2O4 and a molecular weight of 563.84 g/mol. Its IUPAC name is [4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate.

Molecular Properties

Compound Name[4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
PubChem CID5165137
Molecular FormulaC28H20BrClN2O4
Molecular Weight563.84 g/mol
Exact Mass562.03
IUPAC Name[4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
SMILESO=C(Oc1ccc(C=NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1)c1ccccc1Br
InChIInChI=1S/C28H20BrClN2O4/c29-25-7-3-1-5-23(25)28(34)36-22-15-11-19(12-16-22)17-31-32-27(33)24-6-2-4-8-26(24)35-18-20-9-13-21(30)14-10-20/h1-17H,18H2,(H,32,33)
InChIKeyNOCWPBVWVJNRQC-UHFFFAOYSA-N
XLogP6.66
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.84
LogP ≤ 56.66
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 [4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate 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-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 51060610
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060148
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 45054774
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477
[4-[[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3766798
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
CID 4522165
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6123495
[4-[[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 75087729
2-bromo-N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245419
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate?
The IUPAC name of [4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate (CID 5165137) is [4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate.
What is the SMILES notation for [4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate?
The canonical SMILES for [4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is O=C(Oc1ccc(C=NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1)c1ccccc1Br.
What is the InChIKey of [4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate?
The InChIKey is NOCWPBVWVJNRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrClN2O4/c29-25-7-3-1-5-23(25)28(34)36-22-15-11-19(12-16-22)17-31-32-27(33)24-6-2-4-8-26(24)35-18-20-9-13-21(30)14-10-20/h1-17H,18H2,(H,32,33).
What are the key properties of [4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate?
[4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate has a molecular weight of 563.84 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is sourced from PubChem (CID 5165137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).