2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone

C20H17Cl2NO — CID 161050132

IUPAC2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC2=C(Cc3ccc(Cl)cc32)C1
InChIInChI=1S/C20H17Cl2NO/c21-16-3-1-2-13(8-16)9-20(24)23-7-6-18-15(12-23)10-14-4-5-17(22)11-19(14)18/h1-5,8,11H,6-7,9-10,12H2
InChIKeyUCAJOTHKEAEOHF-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.78
Rot. Bonds2

About 2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone

2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone (PubChem CID 161050132) has the molecular formula C20H17Cl2NO and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone
PubChem CID161050132
Molecular FormulaC20H17Cl2NO
Molecular Weight358.27 g/mol
Exact Mass357.07
IUPAC Name2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC2=C(Cc3ccc(Cl)cc32)C1
InChIInChI=1S/C20H17Cl2NO/c21-16-3-1-2-13(8-16)9-20(24)23-7-6-18-15(12-23)10-14-4-5-17(22)11-19(14)18/h1-5,8,11H,6-7,9-10,12H2
InChIKeyUCAJOTHKEAEOHF-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone with MolForge

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Related Compounds

1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one
CID 157115806
(3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
CID 160679379
6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide
CID 157136545
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798
7-[2-(3-chlorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532721
2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone
CID 159128879
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone
CID 112536197
4-benzyl-1-[2-(3-chlorophenyl)acetyl]-1,4-diazepan-5-one
CID 42366762
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
2-(3-chlorophenyl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63309755
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
2-(3-chlorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 110712676

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone (CID 161050132) is 2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone is O=C(Cc1cccc(Cl)c1)N1CCC2=C(Cc3ccc(Cl)cc32)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone?
The InChIKey is UCAJOTHKEAEOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO/c21-16-3-1-2-13(8-16)9-20(24)23-7-6-18-15(12-23)10-14-4-5-17(22)11-19(14)18/h1-5,8,11H,6-7,9-10,12H2.
What are the key properties of 2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone?
2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone has a molecular weight of 358.27 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 161050132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).