N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide

C19H16N2O3 — CID 3112324

IUPACN-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide
SMILESCC(=NNC(=O)c1ccc(C)cc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N2O3/c1-11-7-9-13(10-8-11)19(24)21-20-12(2)16-17(22)14-5-3-4-6-15(14)18(16)23/h3-10,16H,1-2H3,(H,21,24)
InChIKeyGNDOBYUUADCSCP-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.80
Rot. Bonds3

About N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide

N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide (PubChem CID 3112324) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide
PubChem CID3112324
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide
SMILESCC(=NNC(=O)c1ccc(C)cc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N2O3/c1-11-7-9-13(10-8-11)19(24)21-20-12(2)16-17(22)14-5-3-4-6-15(14)18(16)23/h3-10,16H,1-2H3,(H,21,24)
InChIKeyGNDOBYUUADCSCP-UHFFFAOYSA-N
XLogP2.80
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide?
The IUPAC name of N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide (CID 3112324) is N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide is CC(=NNC(=O)c1ccc(C)cc1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide?
The InChIKey is GNDOBYUUADCSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-11-7-9-13(10-8-11)19(24)21-20-12(2)16-17(22)14-5-3-4-6-15(14)18(16)23/h3-10,16H,1-2H3,(H,21,24).
What are the key properties of N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide?
N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide has a molecular weight of 320.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-methylbenzamide is sourced from PubChem (CID 3112324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).