N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide

C19H24FNO — CID 4878769

IUPACN-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO/c1-12(16-2-4-17(20)5-3-16)21-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22)
InChIKeyHGBUQGRABBQXNZ-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.22
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide

N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide (PubChem CID 4878769) has the molecular formula C19H24FNO and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide
PubChem CID4878769
Molecular FormulaC19H24FNO
Molecular Weight301.40 g/mol
Exact Mass301.18
IUPAC NameN-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO/c1-12(16-2-4-17(20)5-3-16)21-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22)
InChIKeyHGBUQGRABBQXNZ-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-fluorophenyl)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-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide (CID 4878769) is N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide is CC(NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide?
The InChIKey is HGBUQGRABBQXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-12(16-2-4-17(20)5-3-16)21-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide?
N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide has a molecular weight of 301.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 4878769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).