ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate

C25H26FNO3 — CID 59314386

IUPACethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(C)c2C2=CCCC2)Cc2ccc(F)cc2C1
InChIInChI=1S/C25H26FNO3/c1-3-30-24(29)25(14-18-11-12-20(26)13-19(18)15-25)27-23(28)21-10-6-7-16(2)22(21)17-8-4-5-9-17/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,27,28)
InChIKeyFAYGNHBCZDERBJ-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.53
Rot. Bonds5

About ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate

ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate (PubChem CID 59314386) has the molecular formula C25H26FNO3 and a molecular weight of 407.49 g/mol. Its IUPAC name is ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate
PubChem CID59314386
Molecular FormulaC25H26FNO3
Molecular Weight407.49 g/mol
Exact Mass407.19
IUPAC Nameethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(C)c2C2=CCCC2)Cc2ccc(F)cc2C1
InChIInChI=1S/C25H26FNO3/c1-3-30-24(29)25(14-18-11-12-20(26)13-19(18)15-25)27-23(28)21-10-6-7-16(2)22(21)17-8-4-5-9-17/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,27,28)
InChIKeyFAYGNHBCZDERBJ-UHFFFAOYSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 163789716
ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate
CID 59314158
methyl (2S)-5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 59314342
2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid
CID 25160667
ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 59314384
(2S)-5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 71044102
ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate
CID 59314167
ethyl 2-[(1-cyclobutyloxy-4-fluoronaphthalene-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
CID 59314411
5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160799
ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 68590661
[5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carbonyl] 2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-5-(trifluoromethyl)-1,3-dihydroindene-2-carboxylate
CID 87548662
ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 59314267

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate (CID 59314386) is ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)c2cccc(C)c2C2=CCCC2)Cc2ccc(F)cc2C1.
What is the InChIKey of ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate?
The InChIKey is FAYGNHBCZDERBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3/c1-3-30-24(29)25(14-18-11-12-20(26)13-19(18)15-25)27-23(28)21-10-6-7-16(2)22(21)17-8-4-5-9-17/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,27,28).
What are the key properties of ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate?
ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate has a molecular weight of 407.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 59314386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).