(4-chlorophenyl)-(2-methylindolizin-3-yl)methanone

C16H12ClNO — CID 2322056

IUPAC(4-chlorophenyl)-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO/c1-11-10-14-4-2-3-9-18(14)15(11)16(19)12-5-7-13(17)8-6-12/h2-10H,1H3
InChIKeyXWSTXMJMXOVOBY-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.13
Rot. Bonds2

About (4-chlorophenyl)-(2-methylindolizin-3-yl)methanone

(4-chlorophenyl)-(2-methylindolizin-3-yl)methanone (PubChem CID 2322056) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-methylindolizin-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-methylindolizin-3-yl)methanone
PubChem CID2322056
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name(4-chlorophenyl)-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO/c1-11-10-14-4-2-3-9-18(14)15(11)16(19)12-5-7-13(17)8-6-12/h2-10H,1H3
InChIKeyXWSTXMJMXOVOBY-UHFFFAOYSA-N
XLogP4.13
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2929
Jwh 203
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Oncrasin 1
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2-(3-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397713
MR-20492
CID 9819080
(2E)-3-(1-methyl-1H-indol-3-yl)-1-phenylprop-2-en-1-one
CID 5905206
1-(4-Chlorophenyl)-2-(pyridin-2-yl)ethan-1-one
CID 615549
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one
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2-(4-Chlorobenzoyl)pyridine
CID 80594
2-Chloro-1-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
CID 2432596
(Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylene)-6,7-dihydroindolizin-8(5H)-one
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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-methylindolizin-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-methylindolizin-3-yl)methanone (CID 2322056) is (4-chlorophenyl)-(2-methylindolizin-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-methylindolizin-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-methylindolizin-3-yl)methanone is Cc1cc2ccccn2c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(2-methylindolizin-3-yl)methanone?
The InChIKey is XWSTXMJMXOVOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-11-10-14-4-2-3-9-18(14)15(11)16(19)12-5-7-13(17)8-6-12/h2-10H,1H3.
What are the key properties of (4-chlorophenyl)-(2-methylindolizin-3-yl)methanone?
(4-chlorophenyl)-(2-methylindolizin-3-yl)methanone has a molecular weight of 269.73 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-methylindolizin-3-yl)methanone is sourced from PubChem (CID 2322056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).