[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C22H24FNO4 — CID 2343463

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C22H24FNO4/c1-15-9-10-19(27-2)18(13-15)24-20(25)14-28-21(26)22(11-5-6-12-22)16-7-3-4-8-17(16)23/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,24,25)
InChIKeyZWYXHQOOOZAUNM-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.14
Rot. Bonds6

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2343463) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2343463
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C22H24FNO4/c1-15-9-10-19(27-2)18(13-15)24-20(25)14-28-21(26)22(11-5-6-12-22)16-7-3-4-8-17(16)23/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,24,25)
InChIKeyZWYXHQOOOZAUNM-UHFFFAOYSA-N
XLogP4.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 2343463) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is COc1ccc(C)cc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is ZWYXHQOOOZAUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-15-9-10-19(27-2)18(13-15)24-20(25)14-28-21(26)22(11-5-6-12-22)16-7-3-4-8-17(16)23/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,24,25).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2343463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).