(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C16H15ClN2O — CID 47380034

IUPAC(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC1c1ccccn1
InChIInChI=1S/C16H15ClN2O/c17-13-6-3-5-12(11-13)16(20)19-10-4-8-15(19)14-7-1-2-9-18-14/h1-3,5-7,9,11,15H,4,8,10H2
InChIKeyXHNUETKLVLHQIO-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.71
Rot. Bonds2

About (3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 47380034) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID47380034
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC1c1ccccn1
InChIInChI=1S/C16H15ClN2O/c17-13-6-3-5-12(11-13)16(20)19-10-4-8-15(19)14-7-1-2-9-18-14/h1-3,5-7,9,11,15H,4,8,10H2
InChIKeyXHNUETKLVLHQIO-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 94810217
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 59170111
[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 26406283
(6-chloro-2-methylquinolin-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 70742167
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
(3-chlorophenyl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124617199
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
(3-chlorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 7225630
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819037
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 47380034) is (3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is O=C(c1cccc(Cl)c1)N1CCCC1c1ccccn1.
What is the InChIKey of (3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is XHNUETKLVLHQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-6-3-5-12(11-13)16(20)19-10-4-8-15(19)14-7-1-2-9-18-14/h1-3,5-7,9,11,15H,4,8,10H2.
What are the key properties of (3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 286.76 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 47380034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).