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

C16H15N3O — CID 6520422

IUPAC4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C2/CCc3ccccc32)cc1
InChIInChI=1S/C16H15N3O/c17-13-8-5-12(6-9-13)16(20)19-18-15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9H,7,10,17H2,(H,19,20)/b18-15-
InChIKeyVNWHZONNGRDHLH-SDXDJHTJSA-N
MW265.32 g/mol
LogP2.35
Rot. Bonds2

About 4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide

4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide (PubChem CID 6520422) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
PubChem CID6520422
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C2/CCc3ccccc32)cc1
InChIInChI=1S/C16H15N3O/c17-13-8-5-12(6-9-13)16(20)19-18-15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9H,7,10,17H2,(H,19,20)/b18-15-
InChIKeyVNWHZONNGRDHLH-SDXDJHTJSA-N
XLogP2.35
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 5419553
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6185796
3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869912
4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide
CID 15294492
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9070972
3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide
CID 9466659
N-(2,3-dihydroinden-1-ylideneamino)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5237889
N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide
CID 123570357

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide (CID 6520422) is 4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide is Nc1ccc(C(=O)N/N=C2/CCc3ccccc32)cc1.
What is the InChIKey of 4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide?
The InChIKey is VNWHZONNGRDHLH-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H15N3O/c17-13-8-5-12(6-9-13)16(20)19-18-15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9H,7,10,17H2,(H,19,20)/b18-15-.
What are the key properties of 4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide?
4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide has a molecular weight of 265.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide is sourced from PubChem (CID 6520422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).