[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone

C16H14Cl2N2O — CID 81228562

IUPAC[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Cl)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-13-5-2-1-4-11(13)15-6-3-9-20(15)16(21)12-10-19-8-7-14(12)18/h1-2,4-5,7-8,10,15H,3,6,9H2
InChIKeyNPIIEFYLXJOELO-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.37
Rot. Bonds2

About [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone

[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone (PubChem CID 81228562) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
PubChem CID81228562
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
SMILESO=C(c1cnccc1Cl)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-13-5-2-1-4-11(13)15-6-3-9-20(15)16(21)12-10-19-8-7-14(12)18/h1-2,4-5,7-8,10,15H,3,6,9H2
InChIKeyNPIIEFYLXJOELO-UHFFFAOYSA-N
XLogP4.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 106686355
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
(2-benzylpyrrolidin-1-yl)-(4-chloro-3-pyridinyl)methanone
CID 81230967
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
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 95053533
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700
[2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61164921
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 63524414
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone?
The IUPAC name of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone (CID 81228562) is [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone is O=C(c1cnccc1Cl)N1CCCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone?
The InChIKey is NPIIEFYLXJOELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-13-5-2-1-4-11(13)15-6-3-9-20(15)16(21)12-10-19-8-7-14(12)18/h1-2,4-5,7-8,10,15H,3,6,9H2.
What are the key properties of [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone?
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone has a molecular weight of 321.21 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone is sourced from PubChem (CID 81228562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).