N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide

C19H24FNO2 — CID 2922073

IUPACN-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCOc1ccccc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24FNO2/c20-16-3-1-2-4-17(16)23-6-5-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyITNLBDPUGNGUPI-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.54
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide

N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide (PubChem CID 2922073) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide
PubChem CID2922073
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCOc1ccccc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24FNO2/c20-16-3-1-2-4-17(16)23-6-5-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyITNLBDPUGNGUPI-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide 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 N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide (CID 2922073) is N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide is O=C(NCCOc1ccccc1F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide?
The InChIKey is ITNLBDPUGNGUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c20-16-3-1-2-4-17(16)23-6-5-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 2922073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).