[2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C21H22FNO3 — CID 2345690

IUPAC[2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN(C(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1
InChIInChI=1S/C21H22FNO3/c1-23(18-7-3-2-4-8-18)19(24)15-26-20(25)21(13-5-6-14-21)16-9-11-17(22)12-10-16/h2-4,7-12H,5-6,13-15H2,1H3
InChIKeyPSFNGMBNPMWWOP-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.84
Rot. Bonds5

About [2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2345690) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2345690
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN(C(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1
InChIInChI=1S/C21H22FNO3/c1-23(18-7-3-2-4-8-18)19(24)15-26-20(25)21(13-5-6-14-21)16-9-11-17(22)12-10-16/h2-4,7-12H,5-6,13-15H2,1H3
InChIKeyPSFNGMBNPMWWOP-UHFFFAOYSA-N
XLogP3.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 2345690) is [2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is CN(C(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is PSFNGMBNPMWWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-23(18-7-3-2-4-8-18)19(24)15-26-20(25)21(13-5-6-14-21)16-9-11-17(22)12-10-16/h2-4,7-12H,5-6,13-15H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 355.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2345690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).