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

C16H10N2O3 — CID 871656

IUPACN-[(1,3-dioxoinden-2-ylidene)amino]benzamide
SMILESO=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C16H10N2O3/c19-14-11-8-4-5-9-12(11)15(20)13(14)17-18-16(21)10-6-2-1-3-7-10/h1-9H,(H,18,21)
InChIKeyWDKQLYHQNBQDHB-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.68
Rot. Bonds2

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

N-[(1,3-dioxoinden-2-ylidene)amino]benzamide (PubChem CID 871656) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-[(1,3-dioxoinden-2-ylidene)amino]benzamide.

Molecular Properties

Compound NameN-[(1,3-dioxoinden-2-ylidene)amino]benzamide
PubChem CID871656
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC NameN-[(1,3-dioxoinden-2-ylidene)amino]benzamide
SMILESO=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C16H10N2O3/c19-14-11-8-4-5-9-12(11)15(20)13(14)17-18-16(21)10-6-2-1-3-7-10/h1-9H,(H,18,21)
InChIKeyWDKQLYHQNBQDHB-UHFFFAOYSA-N
XLogP0.68
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dioxoinden-2-ylidene)amino]benzamide?
The IUPAC name of N-[(1,3-dioxoinden-2-ylidene)amino]benzamide (CID 871656) is N-[(1,3-dioxoinden-2-ylidene)amino]benzamide.
What is the SMILES notation for N-[(1,3-dioxoinden-2-ylidene)amino]benzamide?
The canonical SMILES for N-[(1,3-dioxoinden-2-ylidene)amino]benzamide is O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1.
What is the InChIKey of N-[(1,3-dioxoinden-2-ylidene)amino]benzamide?
The InChIKey is WDKQLYHQNBQDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c19-14-11-8-4-5-9-12(11)15(20)13(14)17-18-16(21)10-6-2-1-3-7-10/h1-9H,(H,18,21).
What are the key properties of N-[(1,3-dioxoinden-2-ylidene)amino]benzamide?
N-[(1,3-dioxoinden-2-ylidene)amino]benzamide has a molecular weight of 278.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoinden-2-ylidene)amino]benzamide is sourced from PubChem (CID 871656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).