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

C21H19Cl2NO — CID 157115806

IUPAC1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one
SMILESO=C(Cc1cccc(Cl)c1)CN1CCC2=C(Cc3ccc(Cl)cc32)C1
InChIInChI=1S/C21H19Cl2NO/c22-17-3-1-2-14(8-17)9-19(25)13-24-7-6-20-16(12-24)10-15-4-5-18(23)11-21(15)20/h1-5,8,11H,6-7,9-10,12-13H2
InChIKeyAHJSUBIRAVZUMI-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.82
Rot. Bonds4

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

1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one (PubChem CID 157115806) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one
PubChem CID157115806
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC Name1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one
SMILESO=C(Cc1cccc(Cl)c1)CN1CCC2=C(Cc3ccc(Cl)cc32)C1
InChIInChI=1S/C21H19Cl2NO/c22-17-3-1-2-14(8-17)9-19(25)13-24-7-6-20-16(12-24)10-15-4-5-18(23)11-21(15)20/h1-5,8,11H,6-7,9-10,12-13H2
InChIKeyAHJSUBIRAVZUMI-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone
CID 161050132
(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
6-amino-1-(3-chlorophenyl)hexan-2-one
CID 116571976
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
CID 62023515
3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride
CID 115046737
2-[4-[(3-chlorophenyl)methyl]-3-oxopiperazin-1-yl]acetic acid
CID 119163573
1-(3-chlorophenyl)hex-5-yn-2-one
CID 63656882
1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one
CID 141149374
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011840
2-(3-chlorophenyl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63309755
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
CID 62620945

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one (CID 157115806) is 1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one is O=C(Cc1cccc(Cl)c1)CN1CCC2=C(Cc3ccc(Cl)cc32)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one?
The InChIKey is AHJSUBIRAVZUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c22-17-3-1-2-14(8-17)9-19(25)13-24-7-6-20-16(12-24)10-15-4-5-18(23)11-21(15)20/h1-5,8,11H,6-7,9-10,12-13H2.
What are the key properties of 1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one?
1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one has a molecular weight of 372.30 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one is sourced from PubChem (CID 157115806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).