[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate

C22H17ClN2O4 — CID 4292329

IUPAC[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
SMILESCOc1cc(C=NNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl
InChIInChI=1S/C22H17ClN2O4/c1-28-20-13-15(14-24-25-21(26)16-7-3-2-4-8-16)11-12-19(20)29-22(27)17-9-5-6-10-18(17)23/h2-14H,1H3,(H,25,26)
InChIKeyKZNFJFLPHBEMOI-UHFFFAOYSA-N
MW408.84 g/mol
LogP4.33
Rot. Bonds6

About [4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate

[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate (PubChem CID 4292329) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is [4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
PubChem CID4292329
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC Name[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
SMILESCOc1cc(C=NNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl
InChIInChI=1S/C22H17ClN2O4/c1-28-20-13-15(14-24-25-21(26)16-7-3-2-4-8-16)11-12-19(20)29-22(27)17-9-5-6-10-18(17)23/h2-14H,1H3,(H,25,26)
InChIKeyKZNFJFLPHBEMOI-UHFFFAOYSA-N
XLogP4.33
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 54.33
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'}

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Related Compounds

[4-[[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 3670411
[2-methoxy-4-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 3779097
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 110341009
[4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 3565746
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3850577
[2-methoxy-4-[[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3696293
[2-methoxy-4-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3710426
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 4011068
[4-[[(2-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 4290172
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4276953
[2-methoxy-4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3516860
[4-[[[3-[(2-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 126225553

Frequently Asked Questions

What is the IUPAC name of [4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate?
The IUPAC name of [4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate (CID 4292329) is [4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate.
What is the SMILES notation for [4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate?
The canonical SMILES for [4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate is COc1cc(C=NNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl.
What is the InChIKey of [4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate?
The InChIKey is KZNFJFLPHBEMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c1-28-20-13-15(14-24-25-21(26)16-7-3-2-4-8-16)11-12-19(20)29-22(27)17-9-5-6-10-18(17)23/h2-14H,1H3,(H,25,26).
What are the key properties of [4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate?
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate has a molecular weight of 408.84 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate is sourced from PubChem (CID 4292329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).