dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate

C24H24FNO7 — CID 16526186

IUPACdimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)cc(C(=O)OC)c1
InChIInChI=1S/C24H24FNO7/c1-31-21(28)15-10-16(22(29)32-2)12-19(11-15)26-20(27)14-33-23(30)24(8-3-4-9-24)17-6-5-7-18(25)13-17/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,26,27)
InChIKeyRGABDMIRICQPFY-UHFFFAOYSA-N
MW457.45 g/mol
LogP3.39
Rot. Bonds7

About dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 16526186) has the molecular formula C24H24FNO7 and a molecular weight of 457.45 g/mol. Its IUPAC name is dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate
PubChem CID16526186
Molecular FormulaC24H24FNO7
Molecular Weight457.45 g/mol
Exact Mass457.15
IUPAC Namedimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)cc(C(=O)OC)c1
InChIInChI=1S/C24H24FNO7/c1-31-21(28)15-10-16(22(29)32-2)12-19(11-15)26-20(27)14-33-23(30)24(8-3-4-9-24)17-6-5-7-18(25)13-17/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,26,27)
InChIKeyRGABDMIRICQPFY-UHFFFAOYSA-N
XLogP3.39
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 42980645
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526239
[3-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxy-2-oxopropyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 3976420
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
CID 30656999
(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526221
[2-(3-methoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866395
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526166
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526246
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 42980138
methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate
CID 86960299
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526230

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate (CID 16526186) is dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is RGABDMIRICQPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO7/c1-31-21(28)15-10-16(22(29)32-2)12-19(11-15)26-20(27)14-33-23(30)24(8-3-4-9-24)17-6-5-7-18(25)13-17/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,26,27).
What are the key properties of dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 457.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 16526186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).