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

C24H18N2O3 — CID 1079428

IUPACN-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide
SMILESCC(=NNC(=O)c1ccc(-c2ccccc2)cc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H18N2O3/c1-15(21-22(27)19-9-5-6-10-20(19)23(21)28)25-26-24(29)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,21H,1H3,(H,26,29)
InChIKeyAMPGYZBWDGCIQN-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.15
Rot. Bonds4

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

N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide (PubChem CID 1079428) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide
PubChem CID1079428
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC NameN-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide
SMILESCC(=NNC(=O)c1ccc(-c2ccccc2)cc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H18N2O3/c1-15(21-22(27)19-9-5-6-10-20(19)23(21)28)25-26-24(29)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,21H,1H3,(H,26,29)
InChIKeyAMPGYZBWDGCIQN-UHFFFAOYSA-N
XLogP4.15
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.15
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-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide (CID 1079428) is N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide is CC(=NNC(=O)c1ccc(-c2ccccc2)cc1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide?
The InChIKey is AMPGYZBWDGCIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-15(21-22(27)19-9-5-6-10-20(19)23(21)28)25-26-24(29)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,21H,1H3,(H,26,29).
What are the key properties of N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide?
N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-4-phenylbenzamide has a molecular weight of 382.42 g/mol, XLogP of 4.15, 4 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-phenylbenzamide is sourced from PubChem (CID 1079428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).