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

C19H17F2NO4 — CID 59314286

IUPAC2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cc(OC(F)F)ccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C19H17F2NO4/c1-11-8-14(26-18(20)21)6-7-15(11)16(23)22-19(17(24)25)9-12-4-2-3-5-13(12)10-19/h2-8,18H,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyAUBJUDOHOQBGMV-UHFFFAOYSA-N
MW361.34 g/mol
LogP2.95
Rot. Bonds5

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

2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59314286) has the molecular formula C19H17F2NO4 and a molecular weight of 361.34 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID59314286
Molecular FormulaC19H17F2NO4
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Name2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cc(OC(F)F)ccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C19H17F2NO4/c1-11-8-14(26-18(20)21)6-7-15(11)16(23)22-19(17(24)25)9-12-4-2-3-5-13(12)10-19/h2-8,18H,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyAUBJUDOHOQBGMV-UHFFFAOYSA-N
XLogP2.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 59314286) is 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is Cc1cc(OC(F)F)ccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is AUBJUDOHOQBGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO4/c1-11-8-14(26-18(20)21)6-7-15(11)16(23)22-19(17(24)25)9-12-4-2-3-5-13(12)10-19/h2-8,18H,9-10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 361.34 g/mol, XLogP of 2.95, 5 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]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59314286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).