N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide

C14H21F2NO2 — CID 104858078

IUPACN-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide
SMILESO=C(NCC(F)(F)CO)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H21F2NO2/c15-14(16,7-18)6-17-13(19)12-10-2-8-1-9(4-10)5-11(12)3-8/h8-12,18H,1-7H2,(H,17,19)
InChIKeyDAORCZPWAUADEG-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.80
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide (PubChem CID 104858078) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide
PubChem CID104858078
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide
SMILESO=C(NCC(F)(F)CO)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H21F2NO2/c15-14(16,7-18)6-17-13(19)12-10-2-8-1-9(4-10)5-11(12)3-8/h8-12,18H,1-7H2,(H,17,19)
InChIKeyDAORCZPWAUADEG-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-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-difluoro-3-hydroxypropyl)adamantane-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide (CID 104858078) is N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide is O=C(NCC(F)(F)CO)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide?
The InChIKey is DAORCZPWAUADEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c15-14(16,7-18)6-17-13(19)12-10-2-8-1-9(4-10)5-11(12)3-8/h8-12,18H,1-7H2,(H,17,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)adamantane-2-carboxamide is sourced from PubChem (CID 104858078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).