(5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide

C18H22FNO2 — CID 2113814

IUPAC(5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)C12C[C@@H]3C[C@@H](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)/t12-,13+,17?,18?
InChIKeyOOHDRYOLHAWNIK-NLKGSNSHSA-N
MW303.38 g/mol
LogP3.40
Rot. Bonds2

About (5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide

(5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide (PubChem CID 2113814) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is (5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
PubChem CID2113814
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name(5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)C12C[C@@H]3C[C@@H](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)/t12-,13+,17?,18?
InChIKeyOOHDRYOLHAWNIK-NLKGSNSHSA-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

Analyze (5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide
CID 16773628
N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
CID 9034291
(1S)-N-(5-fluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 137467542
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7458908
(5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide
CID 8920748
(5S,7R)-3-bromo-N-(3-fluoro-4-methylphenyl)adamantane-1-carboxamide
CID 7778661
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
N-[5-(2,2-dicyanoethenylamino)-2-methylphenyl]adamantane-1-carboxamide
CID 168542634
3-chloro-N-(3,4-dimethylphenyl)adamantane-1-carboxamide
CID 42906238
(5S,7R)-3-chloro-N-(5-chloro-2-fluorophenyl)adamantane-1-carboxamide
CID 8759479
(5S,7R)-3-hydroxyadamantane-1-carbohydrazide
CID 24721604
methyl 3-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]-4-methylbenzoate
CID 9378234

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide?
The IUPAC name of (5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide (CID 2113814) is (5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for (5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide?
The canonical SMILES for (5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide is Cc1ccc(F)cc1NC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of (5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide?
The InChIKey is OOHDRYOLHAWNIK-NLKGSNSHSA-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)/t12-,13+,17?,18?.
What are the key properties of (5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide?
(5S,7R)-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 (5S,7R)-N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 2113814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).