4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide

C26H28F2N2O2 — CID 68797926

IUPAC4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(C(N)C(=O)c2cccc(F)c2)cc1)C12CC3CC(CC(F)(C3)C1)C2
InChIInChI=1S/C26H28F2N2O2/c1-30(26-13-16-9-17(14-26)12-25(28,11-16)15-26)24(32)19-7-5-18(6-8-19)22(29)23(31)20-3-2-4-21(27)10-20/h2-8,10,16-17,22H,9,11-15,29H2,1H3
InChIKeyFNGRCJKEFZOIBI-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.84
Rot. Bonds5

About 4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide

4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide (PubChem CID 68797926) has the molecular formula C26H28F2N2O2 and a molecular weight of 438.52 g/mol. Its IUPAC name is 4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide
PubChem CID68797926
Molecular FormulaC26H28F2N2O2
Molecular Weight438.52 g/mol
Exact Mass438.21
IUPAC Name4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(C(N)C(=O)c2cccc(F)c2)cc1)C12CC3CC(CC(F)(C3)C1)C2
InChIInChI=1S/C26H28F2N2O2/c1-30(26-13-16-9-17(14-26)12-25(28,11-16)15-26)24(32)19-7-5-18(6-8-19)22(29)23(31)20-3-2-4-21(27)10-20/h2-8,10,16-17,22H,9,11-15,29H2,1H3
InChIKeyFNGRCJKEFZOIBI-UHFFFAOYSA-N
XLogP4.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide 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 4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide?
The IUPAC name of 4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide (CID 68797926) is 4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide.
What is the SMILES notation for 4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide?
The canonical SMILES for 4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide is CN(C(=O)c1ccc(C(N)C(=O)c2cccc(F)c2)cc1)C12CC3CC(CC(F)(C3)C1)C2.
What is the InChIKey of 4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide?
The InChIKey is FNGRCJKEFZOIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O2/c1-30(26-13-16-9-17(14-26)12-25(28,11-16)15-26)24(32)19-7-5-18(6-8-19)22(29)23(31)20-3-2-4-21(27)10-20/h2-8,10,16-17,22H,9,11-15,29H2,1H3.
What are the key properties of 4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide?
4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide has a molecular weight of 438.52 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(3-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-1-adamantyl)-N-methylbenzamide is sourced from PubChem (CID 68797926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).