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

C15H10ClN2O3- — CID 9174979

IUPAC4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
SMILESO=C([O-])c1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H11ClN2O3/c16-13-3-1-2-12(8-13)14(19)18-17-9-10-4-6-11(7-5-10)15(20)21/h1-9H,(H,18,19)(H,20,21)/p-1/b17-9-
InChIKeyYPDMNLOPNVUASB-MFOYZWKCSA-M
MW301.71 g/mol
LogP1.47
Rot. Bonds4

About 4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate

4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate (PubChem CID 9174979) has the molecular formula C15H10ClN2O3- and a molecular weight of 301.71 g/mol. Its IUPAC name is 4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
PubChem CID9174979
Molecular FormulaC15H10ClN2O3-
Molecular Weight301.71 g/mol
Exact Mass301.04
IUPAC Name4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
SMILESO=C([O-])c1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H11ClN2O3/c16-13-3-1-2-12(8-13)14(19)18-17-9-10-4-6-11(7-5-10)15(20)21/h1-9H,(H,18,19)(H,20,21)/p-1/b17-9-
InChIKeyYPDMNLOPNVUASB-MFOYZWKCSA-M
XLogP1.47
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.71
LogP ≤ 51.47
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-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 94847752
4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
CID 2403681
3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9174858
3-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3258784
N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide
CID 71816319

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate (CID 9174979) is 4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate is O=C([O-])c1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate?
The InChIKey is YPDMNLOPNVUASB-MFOYZWKCSA-M. The full InChI is InChI=1S/C15H11ClN2O3/c16-13-3-1-2-12(8-13)14(19)18-17-9-10-4-6-11(7-5-10)15(20)21/h1-9H,(H,18,19)(H,20,21)/p-1/b17-9-.
What are the key properties of 4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate?
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate has a molecular weight of 301.71 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 9174979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).