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

C21H20Cl2N2O — CID 158385481

IUPAC2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone
SMILESCC1C2=C(CCN1C(=O)C(N)c1ccc(Cl)cc1)c1cc(Cl)ccc1C2
InChIInChI=1S/C21H20Cl2N2O/c1-12-18-10-14-4-7-16(23)11-19(14)17(18)8-9-25(12)21(26)20(24)13-2-5-15(22)6-3-13/h2-7,11-12,20H,8-10,24H2,1H3
InChIKeyGWHWJYVZVQWGGM-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.62
Rot. Bonds2

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

2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone (PubChem CID 158385481) has the molecular formula C21H20Cl2N2O and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone
PubChem CID158385481
Molecular FormulaC21H20Cl2N2O
Molecular Weight387.31 g/mol
Exact Mass386.10
IUPAC Name2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone
SMILESCC1C2=C(CCN1C(=O)C(N)c1ccc(Cl)cc1)c1cc(Cl)ccc1C2
InChIInChI=1S/C21H20Cl2N2O/c1-12-18-10-14-4-7-16(23)11-19(14)17(18)8-9-25(12)21(26)20(24)13-2-5-15(22)6-3-13/h2-7,11-12,20H,8-10,24H2,1H3
InChIKeyGWHWJYVZVQWGGM-UHFFFAOYSA-N
XLogP4.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone (CID 158385481) is 2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone is CC1C2=C(CCN1C(=O)C(N)c1ccc(Cl)cc1)c1cc(Cl)ccc1C2.
What is the InChIKey of 2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone?
The InChIKey is GWHWJYVZVQWGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O/c1-12-18-10-14-4-7-16(23)11-19(14)17(18)8-9-25(12)21(26)20(24)13-2-5-15(22)6-3-13/h2-7,11-12,20H,8-10,24H2,1H3.
What are the key properties of 2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone?
2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone has a molecular weight of 387.31 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-chloro-1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 158385481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).