(3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone

C19H26FNO2 — CID 125141199

IUPAC(3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1F
InChIInChI=1S/C19H26FNO2/c1-12-5-8-18(22)15(10-12)17-4-3-9-21(17)19(23)14-7-6-13(2)16(20)11-14/h6-7,11-12,15,17-18,22H,3-5,8-10H2,1-2H3/t12-,15+,17-,18-/m1/s1
InChIKeyJIYGAIJZEHEKHP-UOAMXJAYSA-N
MW319.42 g/mol
LogP3.54
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone (PubChem CID 125141199) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone
PubChem CID125141199
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name(3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1F
InChIInChI=1S/C19H26FNO2/c1-12-5-8-18(22)15(10-12)17-4-3-9-21(17)19(23)14-7-6-13(2)16(20)11-14/h6-7,11-12,15,17-18,22H,3-5,8-10H2,1-2H3/t12-,15+,17-,18-/m1/s1
InChIKeyJIYGAIJZEHEKHP-UOAMXJAYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone 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

1-(3-fluoro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16775996
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
(4-fluoro-3-methylphenyl)-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129447494
[(3aS,7aS)-1-(4-fluorophenyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-4-yl]-(3-fluoro-4-methylphenyl)methanone
CID 155999244
1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone
CID 124874523
N-cyclopropyl-3-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 124732357
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 43594628
2-(3-fluoro-4-methylbenzoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890574
(2R,4S)-4-(dimethylamino)-1-(3-fluoro-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 97391072
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138
methyl 5-[(2R)-2-[(1S,2S,5S)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carbonyl]furan-2-carboxylate
CID 100701773
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone (CID 125141199) is (3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone?
The InChIKey is JIYGAIJZEHEKHP-UOAMXJAYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-12-5-8-18(22)15(10-12)17-4-3-9-21(17)19(23)14-7-6-13(2)16(20)11-14/h6-7,11-12,15,17-18,22H,3-5,8-10H2,1-2H3/t12-,15+,17-,18-/m1/s1.
What are the key properties of (3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone has a molecular weight of 319.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125141199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).