[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C18H22FNO3 — CID 4167932

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESO=C(COC(=O)CC1CC2CCC1C2)NCc1ccc(F)cc1
InChIInChI=1S/C18H22FNO3/c19-16-5-2-12(3-6-16)10-20-17(21)11-23-18(22)9-15-8-13-1-4-14(15)7-13/h2-3,5-6,13-15H,1,4,7-11H2,(H,20,21)
InChIKeyRLQKXEZKBFQSRO-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.81
Rot. Bonds6

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 4167932) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID4167932
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESO=C(COC(=O)CC1CC2CCC1C2)NCc1ccc(F)cc1
InChIInChI=1S/C18H22FNO3/c19-16-5-2-12(3-6-16)10-20-17(21)11-23-18(22)9-15-8-13-1-4-14(15)7-13/h2-3,5-6,13-15H,1,4,7-11H2,(H,20,21)
InChIKeyRLQKXEZKBFQSRO-UHFFFAOYSA-N
XLogP2.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 4167932) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is O=C(COC(=O)CC1CC2CCC1C2)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is RLQKXEZKBFQSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c19-16-5-2-12(3-6-16)10-20-17(21)11-23-18(22)9-15-8-13-1-4-14(15)7-13/h2-3,5-6,13-15H,1,4,7-11H2,(H,20,21).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 319.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 4167932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).