2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine

C11H14ClIN- — CID 166157768

IUPAC2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine
SMILESC[I-]N1CCCC1c1ccccc1Cl
InChIInChI=1S/C11H14ClIN/c1-13-14-8-4-7-11(14)9-5-2-3-6-10(9)12/h2-3,5-6,11H,4,7-8H2,1H3/q-1
InChIKeyQIFYUKOWZRPNOC-UHFFFAOYSA-N
MW322.60 g/mol
LogP0.11
Rot. Bonds2

About 2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine

2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine (PubChem CID 166157768) has the molecular formula C11H14ClIN- and a molecular weight of 322.60 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine
PubChem CID166157768
Molecular FormulaC11H14ClIN-
Molecular Weight322.60 g/mol
Exact Mass321.99
IUPAC Name2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine
SMILESC[I-]N1CCCC1c1ccccc1Cl
InChIInChI=1S/C11H14ClIN/c1-13-14-8-4-7-11(14)9-5-2-3-6-10(9)12/h2-3,5-6,11H,4,7-8H2,1H3/q-1
InChIKeyQIFYUKOWZRPNOC-UHFFFAOYSA-N
XLogP0.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 60505498
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
3-chloro-1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62727780
2-amino-1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872447
4-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497807
(2S)-2-(2-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 93076875
(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 51694860

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine?
The IUPAC name of 2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine (CID 166157768) is 2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine?
The canonical SMILES for 2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine is C[I-]N1CCCC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine?
The InChIKey is QIFYUKOWZRPNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN/c1-13-14-8-4-7-11(14)9-5-2-3-6-10(9)12/h2-3,5-6,11H,4,7-8H2,1H3/q-1.
What are the key properties of 2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine?
2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine has a molecular weight of 322.60 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-methyliodanuidylpyrrolidine is sourced from PubChem (CID 166157768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).