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

C17H15ClINO — CID 63524414

IUPAC[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C17H15ClINO/c18-15-8-2-1-7-14(15)16-9-4-10-20(16)17(21)12-5-3-6-13(19)11-12/h1-3,5-8,11,16H,4,9-10H2
InChIKeyHAZVPIRGYHVYBU-UHFFFAOYSA-N
MW411.67 g/mol
LogP4.92
Rot. Bonds2

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

[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone (PubChem CID 63524414) has the molecular formula C17H15ClINO and a molecular weight of 411.67 g/mol. Its IUPAC name is [2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
PubChem CID63524414
Molecular FormulaC17H15ClINO
Molecular Weight411.67 g/mol
Exact Mass410.99
IUPAC Name[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C17H15ClINO/c18-15-8-2-1-7-14(15)16-9-4-10-20(16)17(21)12-5-3-6-13(19)11-12/h1-3,5-8,11,16H,4,9-10H2
InChIKeyHAZVPIRGYHVYBU-UHFFFAOYSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.67
LogP ≤ 54.92
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

[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 67257578
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
CID 81228562
(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 106686355
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-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
(3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 64524062
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 51612979
[4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 166659086

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone?
The IUPAC name of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone (CID 63524414) is [2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone is O=C(c1cccc(I)c1)N1CCCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone?
The InChIKey is HAZVPIRGYHVYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClINO/c18-15-8-2-1-7-14(15)16-9-4-10-20(16)17(21)12-5-3-6-13(19)11-12/h1-3,5-8,11,16H,4,9-10H2.
What are the key properties of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone?
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone has a molecular weight of 411.67 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone is sourced from PubChem (CID 63524414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).