2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid

C21H21F2NO4 — CID 162131708

IUPAC2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid
SMILESCCC1c2ccccc2CC1(NC(=O)c1ccc(OC(F)F)cc1C)C(=O)O
InChIInChI=1S/C21H21F2NO4/c1-3-17-16-7-5-4-6-13(16)11-21(17,19(26)27)24-18(25)15-9-8-14(10-12(15)2)28-20(22)23/h4-10,17,20H,3,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyZITDXWCWSLEENG-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.90
Rot. Bonds6

About 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid

2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid (PubChem CID 162131708) has the molecular formula C21H21F2NO4 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid
PubChem CID162131708
Molecular FormulaC21H21F2NO4
Molecular Weight389.40 g/mol
Exact Mass389.14
IUPAC Name2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid
SMILESCCC1c2ccccc2CC1(NC(=O)c1ccc(OC(F)F)cc1C)C(=O)O
InChIInChI=1S/C21H21F2NO4/c1-3-17-16-7-5-4-6-13(16)11-21(17,19(26)27)24-18(25)15-9-8-14(10-12(15)2)28-20(22)23/h4-10,17,20H,3,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyZITDXWCWSLEENG-UHFFFAOYSA-N
XLogP3.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid 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-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid (CID 162131708) is 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid is CCC1c2ccccc2CC1(NC(=O)c1ccc(OC(F)F)cc1C)C(=O)O.
What is the InChIKey of 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is ZITDXWCWSLEENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO4/c1-3-17-16-7-5-4-6-13(16)11-21(17,19(26)27)24-18(25)15-9-8-14(10-12(15)2)28-20(22)23/h4-10,17,20H,3,11H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid?
2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 389.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1-ethyl-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 162131708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).