N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide

C18H14N2O3 — CID 6105059

IUPACN-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O3/c1-11(19-20-18(23)12-7-3-2-4-8-12)15-16(21)13-9-5-6-10-14(13)17(15)22/h2-10,15H,1H3,(H,20,23)/b19-11-
InChIKeyBVUDRKASGXNRHW-ODLFYWEKSA-N
MW306.32 g/mol
LogP2.49
Rot. Bonds3

About N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide

N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide (PubChem CID 6105059) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide
PubChem CID6105059
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O3/c1-11(19-20-18(23)12-7-3-2-4-8-12)15-16(21)13-9-5-6-10-14(13)17(15)22/h2-10,15H,1H3,(H,20,23)/b19-11-
InChIKeyBVUDRKASGXNRHW-ODLFYWEKSA-N
XLogP2.49
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.49
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide?
The IUPAC name of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide (CID 6105059) is N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide?
The canonical SMILES for N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide?
The InChIKey is BVUDRKASGXNRHW-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11(19-20-18(23)12-7-3-2-4-8-12)15-16(21)13-9-5-6-10-14(13)17(15)22/h2-10,15H,1H3,(H,20,23)/b19-11-.
What are the key properties of N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide?
N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide has a molecular weight of 306.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1,3-dioxoinden-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 6105059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).