N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide

C15H14N4O2 — CID 24974901

IUPACN-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide
SMILESO=CNN/C(=N\NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N4O2/c20-11-16-17-14(12-7-3-1-4-8-12)18-19-15(21)13-9-5-2-6-10-13/h1-11H,(H,16,20)(H,17,18)(H,19,21)
InChIKeyZMMZPDCIKBCEJZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.03
Rot. Bonds5

About N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide

N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide (PubChem CID 24974901) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide
PubChem CID24974901
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide
SMILESO=CNN/C(=N\NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N4O2/c20-11-16-17-14(12-7-3-1-4-8-12)18-19-15(21)13-9-5-2-6-10-13/h1-11H,(H,16,20)(H,17,18)(H,19,21)
InChIKeyZMMZPDCIKBCEJZ-UHFFFAOYSA-N
XLogP1.03
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylideneamino)benzamide;hydrochloride
CID 156587607
N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide
CID 154143836
N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
CID 6322956
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
CID 129248931
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505
N-[(E)-1,1,1-trideuteriopropan-2-ylideneamino]benzamide
CID 175869908
1-methyl-N-[(E)-1-phenylethylideneamino]pyridin-1-ium-4-carboxamide
CID 51056262
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate
CID 54720106
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide?
The IUPAC name of N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide (CID 24974901) is N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide.
What is the SMILES notation for N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide?
The canonical SMILES for N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide is O=CNN/C(=N\NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide?
The InChIKey is ZMMZPDCIKBCEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-11-16-17-14(12-7-3-1-4-8-12)18-19-15(21)13-9-5-2-6-10-13/h1-11H,(H,16,20)(H,17,18)(H,19,21).
What are the key properties of N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide?
N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide has a molecular weight of 282.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2-formylhydrazinyl)-phenylmethylidene]amino]benzamide is sourced from PubChem (CID 24974901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).