N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide

C12H15IN2O — CID 43233890

IUPACN-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2)cc1I
InChIInChI=1S/C12H15IN2O/c1-8-4-5-9(7-10(8)13)15-12(16)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyTXMMOSWHILQSJY-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.29
Rot. Bonds2

About N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide

N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 43233890) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID43233890
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC NameN-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2)cc1I
InChIInChI=1S/C12H15IN2O/c1-8-4-5-9(7-10(8)13)15-12(16)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyTXMMOSWHILQSJY-UHFFFAOYSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316570
(2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide
CID 113266605
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide (CID 43233890) is N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)C2CCCN2)cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is TXMMOSWHILQSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c1-8-4-5-9(7-10(8)13)15-12(16)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide?
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 330.17 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43233890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).