[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C24H22F2N2O4 — CID 2395409

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESC[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)c2C1
InChIInChI=1S/C24H22F2N2O4/c1-14-6-11-20-18(12-14)22(17-4-2-3-5-19(17)28-20)23(30)31-13-21(29)27-15-7-9-16(10-8-15)32-24(25)26/h2-5,7-10,14,24H,6,11-13H2,1H3,(H,27,29)/t14-/m1/s1
InChIKeySKGRGGQHBKNPHW-CQSZACIVSA-N
MW440.45 g/mol
LogP4.76
Rot. Bonds6

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2395409) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2395409
Molecular FormulaC24H22F2N2O4
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESC[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)c2C1
InChIInChI=1S/C24H22F2N2O4/c1-14-6-11-20-18(12-14)22(17-4-2-3-5-19(17)28-20)23(30)31-13-21(29)27-15-7-9-16(10-8-15)32-24(25)26/h2-5,7-10,14,24H,6,11-13H2,1H3,(H,27,29)/t14-/m1/s1
InChIKeySKGRGGQHBKNPHW-CQSZACIVSA-N
XLogP4.76
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-(4-iodoanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23857693
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2428416
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23740560
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2428411
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16533517
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139142
[2-oxo-2-(quinolin-3-ylamino)ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23997431
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599591
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2696059
[2-(methylcarbamoylamino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2631999
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2102887
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23913791

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2395409) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)c2C1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is SKGRGGQHBKNPHW-CQSZACIVSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c1-14-6-11-20-18(12-14)22(17-4-2-3-5-19(17)28-20)23(30)31-13-21(29)27-15-7-9-16(10-8-15)32-24(25)26/h2-5,7-10,14,24H,6,11-13H2,1H3,(H,27,29)/t14-/m1/s1.
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 440.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2395409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).