[5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone

C20H20Cl2N2O2 — CID 10385762

IUPAC[5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone
SMILESCc1c(OCCN(C)C)c2cc(Cl)cc(Cl)c2n1C(=O)c1ccccc1
InChIInChI=1S/C20H20Cl2N2O2/c1-13-19(26-10-9-23(2)3)16-11-15(21)12-17(22)18(16)24(13)20(25)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyBHARFULWTWRTJK-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.89
Rot. Bonds5

About [5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone

[5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone (PubChem CID 10385762) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is [5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone
PubChem CID10385762
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name[5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone
SMILESCc1c(OCCN(C)C)c2cc(Cl)cc(Cl)c2n1C(=O)c1ccccc1
InChIInChI=1S/C20H20Cl2N2O2/c1-13-19(26-10-9-23(2)3)16-11-15(21)12-17(22)18(16)24(13)20(25)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyBHARFULWTWRTJK-UHFFFAOYSA-N
XLogP4.89
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone?
The IUPAC name of [5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone (CID 10385762) is [5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone.
What is the SMILES notation for [5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone?
The canonical SMILES for [5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone is Cc1c(OCCN(C)C)c2cc(Cl)cc(Cl)c2n1C(=O)c1ccccc1.
What is the InChIKey of [5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone?
The InChIKey is BHARFULWTWRTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-13-19(26-10-9-23(2)3)16-11-15(21)12-17(22)18(16)24(13)20(25)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of [5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone?
[5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone has a molecular weight of 391.30 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone is sourced from PubChem (CID 10385762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).