N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide

C20H20N2O2 — CID 5158821

IUPACN-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide
SMILESCN1C(=CC(=O)NC(=O)c2ccccc2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-20(2)15-11-7-8-12-16(15)22(3)17(20)13-18(23)21-19(24)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,21,23,24)
InChIKeyZWTOLCFYYTUEEH-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.25
Rot. Bonds2

About N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide

N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide (PubChem CID 5158821) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide.

Molecular Properties

Compound NameN-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide
PubChem CID5158821
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide
SMILESCN1C(=CC(=O)NC(=O)c2ccccc2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-20(2)15-11-7-8-12-16(15)22(3)17(20)13-18(23)21-19(24)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,21,23,24)
InChIKeyZWTOLCFYYTUEEH-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide?
The IUPAC name of N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide (CID 5158821) is N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide.
What is the SMILES notation for N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide?
The canonical SMILES for N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide is CN1C(=CC(=O)NC(=O)c2ccccc2)C(C)(C)c2ccccc21.
What is the InChIKey of N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide?
The InChIKey is ZWTOLCFYYTUEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-20(2)15-11-7-8-12-16(15)22(3)17(20)13-18(23)21-19(24)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,21,23,24).
What are the key properties of N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide?
N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide has a molecular weight of 320.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzamide is sourced from PubChem (CID 5158821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).