[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate

C22H17ClN2O4 — CID 3702836

IUPAC[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
SMILESCOc1cccc(C(=O)NN=Cc2ccc(OC(=O)c3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C22H17ClN2O4/c1-28-20-7-3-4-16(13-20)21(26)25-24-14-15-8-10-19(11-9-15)29-22(27)17-5-2-6-18(23)12-17/h2-14H,1H3,(H,25,26)
InChIKeyGIWZWJMGYANLHV-UHFFFAOYSA-N
MW408.84 g/mol
LogP4.33
Rot. Bonds6

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

[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate (PubChem CID 3702836) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is [4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate.

Molecular Properties

Compound Name[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
PubChem CID3702836
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC Name[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
SMILESCOc1cccc(C(=O)NN=Cc2ccc(OC(=O)c3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C22H17ClN2O4/c1-28-20-7-3-4-16(13-20)21(26)25-24-14-15-8-10-19(11-9-15)29-22(27)17-5-2-6-18(23)12-17/h2-14H,1H3,(H,25,26)
InChIKeyGIWZWJMGYANLHV-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-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3793766
[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 124605345
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 4522806
[4-[[[2-(3,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methoxybenzoate
CID 4106194
[4-[(E)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110506028
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide
CID 126110640
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
[4-[(E)-[2-(3-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 44722050
N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 5069524
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482
[4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 6257193
[4-[[[2-(5-chloro-2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 4165341

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate?
The IUPAC name of [4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate (CID 3702836) is [4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate.
What is the SMILES notation for [4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate?
The canonical SMILES for [4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is COc1cccc(C(=O)NN=Cc2ccc(OC(=O)c3cccc(Cl)c3)cc2)c1.
What is the InChIKey of [4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate?
The InChIKey is GIWZWJMGYANLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c1-28-20-7-3-4-16(13-20)21(26)25-24-14-15-8-10-19(11-9-15)29-22(27)17-5-2-6-18(23)12-17/h2-14H,1H3,(H,25,26).
What are the key properties of [4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate?
[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-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-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is sourced from PubChem (CID 3702836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).