[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

C15H18FNO3 — CID 7759290

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C15H18FNO3/c16-12-7-5-11(6-8-12)9-15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,18)
InChIKeyZFPRYSOPQSNOCQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.97
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 7759290) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID7759290
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C15H18FNO3/c16-12-7-5-11(6-8-12)9-15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,18)
InChIKeyZFPRYSOPQSNOCQ-UHFFFAOYSA-N
XLogP1.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 7759290) is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is ZFPRYSOPQSNOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-12-7-5-11(6-8-12)9-15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 279.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 7759290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).