2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide

C24H18F3N3O2 — CID 57156779

IUPAC2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
SMILESCN(C(=O)C(F)(F)F)c1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C24H18F3N3O2/c1-30(23(32)24(25,26)27)17-11-7-10-16(14-17)28-21(15-8-3-2-4-9-15)20-18-12-5-6-13-19(18)29-22(20)31/h2-14,20H,1H3,(H,29,31)/b28-21+
InChIKeyKMWCIWVCNSZOCN-SGWCAAJKSA-N
MW437.42 g/mol
LogP5.07
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide

2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide (PubChem CID 57156779) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
PubChem CID57156779
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC Name2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
SMILESCN(C(=O)C(F)(F)F)c1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C24H18F3N3O2/c1-30(23(32)24(25,26)27)17-11-7-10-16(14-17)28-21(15-8-3-2-4-9-15)20-18-12-5-6-13-19(18)29-22(20)31/h2-14,20H,1H3,(H,29,31)/b28-21+
InChIKeyKMWCIWVCNSZOCN-SGWCAAJKSA-N
XLogP5.07
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide 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 2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide (CID 57156779) is 2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide is CN(C(=O)C(F)(F)F)c1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide?
The InChIKey is KMWCIWVCNSZOCN-SGWCAAJKSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c1-30(23(32)24(25,26)27)17-11-7-10-16(14-17)28-21(15-8-3-2-4-9-15)20-18-12-5-6-13-19(18)29-22(20)31/h2-14,20H,1H3,(H,29,31)/b28-21+.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide has a molecular weight of 437.42 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide is sourced from PubChem (CID 57156779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).