[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate

C16H15N3O3 — CID 6022391

IUPAC[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1ccc(/C=N\NC(N)=O)cc1
InChIInChI=1S/C16H15N3O3/c1-11-4-2-3-5-14(11)15(20)22-13-8-6-12(7-9-13)10-18-19-16(17)21/h2-10H,1H3,(H3,17,19,21)/b18-10-
InChIKeyQUDPIFXJGAQRDM-ZDLGFXPLSA-N
MW297.31 g/mol
LogP2.22
Rot. Bonds4

About [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate

[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate (PubChem CID 6022391) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate.

Molecular Properties

Compound Name[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
PubChem CID6022391
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1ccc(/C=N\NC(N)=O)cc1
InChIInChI=1S/C16H15N3O3/c1-11-4-2-3-5-14(11)15(20)22-13-8-6-12(7-9-13)10-18-19-16(17)21/h2-10H,1H3,(H3,17,19,21)/b18-10-
InChIKeyQUDPIFXJGAQRDM-ZDLGFXPLSA-N
XLogP2.22
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
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-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate
CID 6024810
[4-[(E)-[[2-(2,6-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 19660324
[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6109937
[4-[[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4611165
[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6020754
[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4145700
[4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 75087863
[4-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6296161
[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4609649
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 5416155
[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110338795
[4-[[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4142908

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate?
The IUPAC name of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate (CID 6022391) is [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate.
What is the SMILES notation for [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate?
The canonical SMILES for [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate is Cc1ccccc1C(=O)Oc1ccc(/C=N\NC(N)=O)cc1.
What is the InChIKey of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate?
The InChIKey is QUDPIFXJGAQRDM-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11-4-2-3-5-14(11)15(20)22-13-8-6-12(7-9-13)10-18-19-16(17)21/h2-10H,1H3,(H3,17,19,21)/b18-10-.
What are the key properties of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate?
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate has a molecular weight of 297.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate is sourced from PubChem (CID 6022391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).