[2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate

C14H16FNO3 — CID 2099367

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NC1CCCC1
InChIInChI=1S/C14H16FNO3/c15-12-8-4-3-7-11(12)14(18)19-9-13(17)16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,17)
InChIKeyTYSLLMHZCYLPKP-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.04
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate

[2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate (PubChem CID 2099367) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate
PubChem CID2099367
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NC1CCCC1
InChIInChI=1S/C14H16FNO3/c15-12-8-4-3-7-11(12)14(18)19-9-13(17)16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,17)
InChIKeyTYSLLMHZCYLPKP-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.04
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-fluorobenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate (CID 2099367) is [2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is TYSLLMHZCYLPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-8-4-3-7-11(12)14(18)19-9-13(17)16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,17).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 265.28 g/mol, XLogP of 2.04, 4 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-fluorobenzoate is sourced from PubChem (CID 2099367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).