(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

C18H18INO2 — CID 51929591

IUPAC(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2ccccc2I)c1
InChIInChI=1S/C18H18INO2/c1-22-14-7-4-6-13(12-14)17-10-5-11-20(17)18(21)15-8-2-3-9-16(15)19/h2-4,6-9,12,17H,5,10-11H2,1H3/t17-/m1/s1
InChIKeyGCMNEHXVCMNQSY-QGZVFWFLSA-N
MW407.25 g/mol
LogP4.28
Rot. Bonds3

About (2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 51929591) has the molecular formula C18H18INO2 and a molecular weight of 407.25 g/mol. Its IUPAC name is (2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID51929591
Molecular FormulaC18H18INO2
Molecular Weight407.25 g/mol
Exact Mass407.04
IUPAC Name(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2ccccc2I)c1
InChIInChI=1S/C18H18INO2/c1-22-14-7-4-6-13(12-14)17-10-5-11-20(17)18(21)15-8-2-3-9-16(15)19/h2-4,6-9,12,17H,5,10-11H2,1H3/t17-/m1/s1
InChIKeyGCMNEHXVCMNQSY-QGZVFWFLSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 51091748
[2-(3-methoxyphenyl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131949336
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415
(3-aminothiophen-2-yl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 61111484

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 51929591) is (2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1cccc([C@H]2CCCN2C(=O)c2ccccc2I)c1.
What is the InChIKey of (2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is GCMNEHXVCMNQSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18INO2/c1-22-14-7-4-6-13(12-14)17-10-5-11-20(17)18(21)15-8-2-3-9-16(15)19/h2-4,6-9,12,17H,5,10-11H2,1H3/t17-/m1/s1.
What are the key properties of (2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 407.25 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51929591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).