2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid

C19H22FNO3 — CID 59337284

IUPAC2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid
SMILESNC(=O)C1C2CC3CC1CC(C2)C3(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3/c20-15-3-1-12(2-4-15)19(9-16(22)23)13-5-10-6-14(19)8-11(7-13)17(10)18(21)24/h1-4,10-11,13-14,17H,5-9H2,(H2,21,24)(H,22,23)
InChIKeyCGQYTVKZKXABCH-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.71
Rot. Bonds4

About 2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid

2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid (PubChem CID 59337284) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid
PubChem CID59337284
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid
SMILESNC(=O)C1C2CC3CC1CC(C2)C3(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3/c20-15-3-1-12(2-4-15)19(9-16(22)23)13-5-10-6-14(19)8-11(7-13)17(10)18(21)24/h1-4,10-11,13-14,17H,5-9H2,(H2,21,24)(H,22,23)
InChIKeyCGQYTVKZKXABCH-UHFFFAOYSA-N
XLogP2.71
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid 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-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid?
The IUPAC name of 2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid (CID 59337284) is 2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid.
What is the SMILES notation for 2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid?
The canonical SMILES for 2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid is NC(=O)C1C2CC3CC1CC(C2)C3(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid?
The InChIKey is CGQYTVKZKXABCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c20-15-3-1-12(2-4-15)19(9-16(22)23)13-5-10-6-14(19)8-11(7-13)17(10)18(21)24/h1-4,10-11,13-14,17H,5-9H2,(H2,21,24)(H,22,23).
What are the key properties of 2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid?
2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid has a molecular weight of 331.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-carbamoyl-2-(4-fluorophenyl)-2-adamantyl]acetic acid is sourced from PubChem (CID 59337284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).