(5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone

C13H15ClINO — CID 103709418

IUPAC(5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(Cl)ccc2I)C1
InChIInChI=1S/C13H15ClINO/c1-13(2)5-6-16(8-13)12(17)10-7-9(14)3-4-11(10)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyFONSLJWRANAHDQ-UHFFFAOYSA-N
MW363.63 g/mol
LogP3.82
Rot. Bonds1

About (5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone

(5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 103709418) has the molecular formula C13H15ClINO and a molecular weight of 363.63 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID103709418
Molecular FormulaC13H15ClINO
Molecular Weight363.63 g/mol
Exact Mass362.99
IUPAC Name(5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc(Cl)ccc2I)C1
InChIInChI=1S/C13H15ClINO/c1-13(2)5-6-16(8-13)12(17)10-7-9(14)3-4-11(10)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyFONSLJWRANAHDQ-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-iodobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 113263393
(5-chloro-2-iodophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107526516
(5-chloro-2-iodophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113222975
(4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone
CID 172648482
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
1-(5-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55167093
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
CID 103805035
(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344075
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 120806444
(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115532894
(4-chloro-2-hydroxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282816

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (CID 103709418) is (5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone is CC1(C)CCN(C(=O)c2cc(Cl)ccc2I)C1.
What is the InChIKey of (5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is FONSLJWRANAHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO/c1-13(2)5-6-16(8-13)12(17)10-7-9(14)3-4-11(10)15/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of (5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
(5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 363.63 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103709418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).