methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate

C16H13ClN2O3 — CID 9231447

IUPACmethyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O3/c1-22-16(21)14-8-3-2-5-12(14)10-18-19-15(20)11-6-4-7-13(17)9-11/h2-10H,1H3,(H,19,20)/b18-10-
InChIKeyLWULPXRPXCBOLV-ZDLGFXPLSA-N
MW316.74 g/mol
LogP2.89
Rot. Bonds4

About methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate

methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate (PubChem CID 9231447) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
PubChem CID9231447
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Namemethyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O3/c1-22-16(21)14-8-3-2-5-12(14)10-18-19-15(20)11-6-4-7-13(17)9-11/h2-10H,1H3,(H,19,20)/b18-10-
InChIKeyLWULPXRPXCBOLV-ZDLGFXPLSA-N
XLogP2.89
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.89
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'}

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Related Compounds

3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 693396
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
3-chloro-N-[[2-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 5226825
methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9218105
3-chloro-N-[(E)-(2-methoxy-5-methylsulfanylthiophen-3-yl)methylideneamino]benzamide
CID 6895247
2-chloro-N-[3-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136897253
N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide
CID 126085873
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate (CID 9231447) is methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate is COC(=O)c1ccccc1/C=N\NC(=O)c1cccc(Cl)c1.
What is the InChIKey of methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate?
The InChIKey is LWULPXRPXCBOLV-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-22-16(21)14-8-3-2-5-12(14)10-18-19-15(20)11-6-4-7-13(17)9-11/h2-10H,1H3,(H,19,20)/b18-10-.
What are the key properties of methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate?
methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate has a molecular weight of 316.74 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 9231447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).