[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

C22H17ClN2O3 — CID 6109937

IUPAC[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
SMILESCc1ccccc1C(=O)N/N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H17ClN2O3/c1-15-6-2-3-7-18(15)21(26)25-24-14-16-10-12-17(13-11-16)28-22(27)19-8-4-5-9-20(19)23/h2-14H,1H3,(H,25,26)/b24-14-
InChIKeyRRWLJYHWQNUTBG-OYKKKHCWSA-N
MW392.84 g/mol
LogP4.63
Rot. Bonds5

About [4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate (PubChem CID 6109937) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is [4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
PubChem CID6109937
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
SMILESCc1ccccc1C(=O)N/N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H17ClN2O3/c1-15-6-2-3-7-18(15)21(26)25-24-14-16-10-12-17(13-11-16)28-22(27)19-8-4-5-9-20(19)23/h2-14H,1H3,(H,25,26)/b24-14-
InChIKeyRRWLJYHWQNUTBG-OYKKKHCWSA-N
XLogP4.63
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 75087863
[4-[(E)-[[2-(2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 51060942
[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6031077
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
CID 6022391
[4-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 45054745
[4-[[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 5070011
[4-[[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4611165
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065
[4-[(Z)-[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6298562
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 1117179
[4-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6296161

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
The IUPAC name of [4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate (CID 6109937) is [4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate.
What is the SMILES notation for [4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
The canonical SMILES for [4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is Cc1ccccc1C(=O)N/N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of [4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
The InChIKey is RRWLJYHWQNUTBG-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-15-6-2-3-7-18(15)21(26)25-24-14-16-10-12-17(13-11-16)28-22(27)19-8-4-5-9-20(19)23/h2-14H,1H3,(H,25,26)/b24-14-.
What are the key properties of [4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate has a molecular weight of 392.84 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is sourced from PubChem (CID 6109937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).