2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone

C22H28FNO — CID 59336862

IUPAC2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CCCC1
InChIInChI=1S/C22H28FNO/c23-20-5-3-17(4-6-20)22(14-21(25)24-7-1-2-8-24)18-10-15-9-16(12-18)13-19(22)11-15/h3-6,15-16,18-19H,1-2,7-14H2
InChIKeyNBXMFZJNUFTSFS-UHFFFAOYSA-N
MW341.47 g/mol
LogP4.53
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone

2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone (PubChem CID 59336862) has the molecular formula C22H28FNO and a molecular weight of 341.47 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone
PubChem CID59336862
Molecular FormulaC22H28FNO
Molecular Weight341.47 g/mol
Exact Mass341.22
IUPAC Name2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CCCC1
InChIInChI=1S/C22H28FNO/c23-20-5-3-17(4-6-20)22(14-21(25)24-7-1-2-8-24)18-10-15-9-16(12-18)13-19(22)11-15/h3-6,15-16,18-19H,1-2,7-14H2
InChIKeyNBXMFZJNUFTSFS-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone (CID 59336862) is 2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone is O=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CCCC1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is NBXMFZJNUFTSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO/c23-20-5-3-17(4-6-20)22(14-21(25)24-7-1-2-8-24)18-10-15-9-16(12-18)13-19(22)11-15/h3-6,15-16,18-19H,1-2,7-14H2.
What are the key properties of 2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone?
2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 341.47 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 59336862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).