4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide

C16H11N3O3 — CID 15294492

IUPAC4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide
SMILESNc1ccc(C(=O)NN=c2c(=O)c3ccccc3c2=O)cc1
InChIInChI=1S/C16H11N3O3/c17-10-7-5-9(6-8-10)16(22)19-18-13-14(20)11-3-1-2-4-12(11)15(13)21/h1-8H,17H2,(H,19,22)
InChIKeyGHWXJVWQMPIWKE-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.26
Rot. Bonds2

About 4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide

4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide (PubChem CID 15294492) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide
PubChem CID15294492
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide
SMILESNc1ccc(C(=O)NN=c2c(=O)c3ccccc3c2=O)cc1
InChIInChI=1S/C16H11N3O3/c17-10-7-5-9(6-8-10)16(22)19-18-13-14(20)11-3-1-2-4-12(11)15(13)21/h1-8H,17H2,(H,19,22)
InChIKeyGHWXJVWQMPIWKE-UHFFFAOYSA-N
XLogP0.26
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,3-dioxoinden-2-ylidene)amino]-4-hydroxy-3-methoxybenzamide
CID 19034298
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6520422
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9070972
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
4-amino-N-[(Z)-[3-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-5-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98297741
4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 9070990
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea
CID 23373153
4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
CID 5232709

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide?
The IUPAC name of 4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide (CID 15294492) is 4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide.
What is the SMILES notation for 4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide?
The canonical SMILES for 4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide is Nc1ccc(C(=O)NN=c2c(=O)c3ccccc3c2=O)cc1.
What is the InChIKey of 4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide?
The InChIKey is GHWXJVWQMPIWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c17-10-7-5-9(6-8-10)16(22)19-18-13-14(20)11-3-1-2-4-12(11)15(13)21/h1-8H,17H2,(H,19,22).
What are the key properties of 4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide?
4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide has a molecular weight of 293.28 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide is sourced from PubChem (CID 15294492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).