N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide

C16H14N2O — CID 5393197

IUPACN-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
SMILESO=C(N/N=C1/CCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H14N2O/c19-16(13-7-2-1-3-8-13)18-17-15-11-10-12-6-4-5-9-14(12)15/h1-9H,10-11H2,(H,18,19)/b17-15-
InChIKeyVEJYJKYPBQSRBP-ICFOKQHNSA-N
MW250.30 g/mol
LogP2.77
Rot. Bonds2

About N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide

N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide (PubChem CID 5393197) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
PubChem CID5393197
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
SMILESO=C(N/N=C1/CCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H14N2O/c19-16(13-7-2-1-3-8-13)18-17-15-11-10-12-6-4-5-9-14(12)15/h1-9H,10-11H2,(H,18,19)/b17-15-
InChIKeyVEJYJKYPBQSRBP-ICFOKQHNSA-N
XLogP2.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide?
The IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide (CID 5393197) is N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide?
The canonical SMILES for N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide is O=C(N/N=C1/CCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide?
The InChIKey is VEJYJKYPBQSRBP-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16(13-7-2-1-3-8-13)18-17-15-11-10-12-6-4-5-9-14(12)15/h1-9H,10-11H2,(H,18,19)/b17-15-.
What are the key properties of N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide?
N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide has a molecular weight of 250.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide is sourced from PubChem (CID 5393197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).