N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide

C18H22FNO2 — CID 3873265

IUPACN-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H22FNO2/c1-11-2-3-14(19)5-15(11)20-16(21)17-6-12-4-13(7-17)9-18(22,8-12)10-17/h2-3,5,12-13,22H,4,6-10H2,1H3,(H,20,21)
InChIKeyOOHDRYOLHAWNIK-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.40
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide

N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide (PubChem CID 3873265) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
PubChem CID3873265
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC NameN-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H22FNO2/c1-11-2-3-14(19)5-15(11)20-16(21)17-6-12-4-13(7-17)9-18(22,8-12)10-17/h2-3,5,12-13,22H,4,6-10H2,1H3,(H,20,21)
InChIKeyOOHDRYOLHAWNIK-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone
CID 71719542
N-(4-fluorophenyl)adamantane-1-carboxamide
CID 331251
2-(1-adamantyl)-N-(2-methylphenyl)acetamide
CID 5151658
(E)-N-[4-(3-hydroxy-1-adamantyl)phenyl]-3-phenylprop-2-enamide
CID 6002858
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide
CID 24686599
N-(2-fluorophenyl)adamantane-1-carboxamide
CID 331250
N-(3-fluorophenyl)adamantane-1-carboxamide
CID 2839369
(4R)-N-(5-fluoro-2-methylphenyl)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
CID 166630517
N-(2-methylphenyl)adamantane-1-carboxamide
CID 5038388
N-[2-(Trifluoromethyl)phenyl]-1-adamantanecarboxamide
CID 584808
N-(2,4-difluorophenyl)-3,5-dimethyladamantane-1-carboxamide
CID 3578809
(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-N-phenyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxamide
CID 71601547

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide (CID 3873265) is N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide is Cc1ccc(F)cc1NC(=O)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide?
The InChIKey is OOHDRYOLHAWNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-11-2-3-14(19)5-15(11)20-16(21)17-6-12-4-13(7-17)9-18(22,8-12)10-17/h2-3,5,12-13,22H,4,6-10H2,1H3,(H,20,21).
What are the key properties of N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide?
N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 3873265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).