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

C17H22FNO3 — CID 2344652

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NC1CCCCCC1
InChIInChI=1S/C17H22FNO3/c18-14-9-7-13(8-10-14)11-17(21)22-12-16(20)19-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-12H2,(H,19,20)
InChIKeyRUCUJPMSMBYNMF-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.75
Rot. Bonds5

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

[2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 2344652) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID2344652
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)NC1CCCCCC1
InChIInChI=1S/C17H22FNO3/c18-14-9-7-13(8-10-14)11-17(21)22-12-16(20)19-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-12H2,(H,19,20)
InChIKeyRUCUJPMSMBYNMF-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 2344652) is [2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is RUCUJPMSMBYNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c18-14-9-7-13(8-10-14)11-17(21)22-12-16(20)19-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-12H2,(H,19,20).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 307.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 2344652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).