N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide

C19H24FNO2 — CID 158486688

IUPACN-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide
SMILESO=C(CCC12CC3CC(CC(O)(C3)C1)C2)Nc1ccccc1F
InChIInChI=1S/C19H24FNO2/c20-15-3-1-2-4-16(15)21-17(22)5-6-18-8-13-7-14(9-18)11-19(23,10-13)12-18/h1-4,13-14,23H,5-12H2,(H,21,22)
InChIKeyCZLMVJFQPBJEAL-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.88
Rot. Bonds4

About N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide

N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide (PubChem CID 158486688) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide
PubChem CID158486688
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC NameN-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide
SMILESO=C(CCC12CC3CC(CC(O)(C3)C1)C2)Nc1ccccc1F
InChIInChI=1S/C19H24FNO2/c20-15-3-1-2-4-16(15)21-17(22)5-6-18-8-13-7-14(9-18)11-19(23,10-13)12-18/h1-4,13-14,23H,5-12H2,(H,21,22)
InChIKeyCZLMVJFQPBJEAL-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
3-[(5R,7R)-3-hydroxy-1-adamantyl]propanoic acid
CID 6928724
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 167769199
[2-(2-fluoroanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 5008790
[2-(2-fluoroanilino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
CID 7415252
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
N-(2-fluorophenyl)butanamide
CID 849021
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 9270815
N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
CID 9034291

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide (CID 158486688) is N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide is O=C(CCC12CC3CC(CC(O)(C3)C1)C2)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide?
The InChIKey is CZLMVJFQPBJEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c20-15-3-1-2-4-16(15)21-17(22)5-6-18-8-13-7-14(9-18)11-19(23,10-13)12-18/h1-4,13-14,23H,5-12H2,(H,21,22).
What are the key properties of N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide?
N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide has a molecular weight of 317.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(3-hydroxy-1-adamantyl)propanamide is sourced from PubChem (CID 158486688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).