[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate

C21H15ClN2O3 — CID 6104777

IUPAC[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
SMILESO=C(N/N=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C21H15ClN2O3/c22-18-11-9-17(10-12-18)21(26)27-19-8-4-5-15(13-19)14-23-24-20(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)/b23-14-
InChIKeySQYLROSHXBHOSF-UCQKPKSFSA-N
MW378.82 g/mol
LogP4.32
Rot. Bonds5

About [3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate

[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate (PubChem CID 6104777) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is [3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
PubChem CID6104777
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC Name[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
SMILESO=C(N/N=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C21H15ClN2O3/c22-18-11-9-17(10-12-18)21(26)27-19-8-4-5-15(13-19)14-23-24-20(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)/b23-14-
InChIKeySQYLROSHXBHOSF-UCQKPKSFSA-N
XLogP4.32
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.32
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

[3-[[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4175696
[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6260250
[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6261655
[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 4156687
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 4079306
[3-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 41002091
[3-[[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4101805
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
[3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3728498
[3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1001770
N-[(E)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126271569
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748

Frequently Asked Questions

What is the IUPAC name of [3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
The IUPAC name of [3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate (CID 6104777) is [3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate.
What is the SMILES notation for [3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
The canonical SMILES for [3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is O=C(N/N=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccccc1.
What is the InChIKey of [3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
The InChIKey is SQYLROSHXBHOSF-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c22-18-11-9-17(10-12-18)21(26)27-19-8-4-5-15(13-19)14-23-24-20(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)/b23-14-.
What are the key properties of [3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate has a molecular weight of 378.82 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is sourced from PubChem (CID 6104777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).