N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide

C20H20Cl2N2O2 — CID 8622032

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C20H20Cl2N2O2/c1-24(12-18(25)23-20-16(21)6-3-7-17(20)22)19(26)11-13-8-9-14-4-2-5-15(14)10-13/h3,6-10H,2,4-5,11-12H2,1H3,(H,23,25)
InChIKeyJRKCOGRGAOBQRR-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.12
Rot. Bonds5

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide (PubChem CID 8622032) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide
PubChem CID8622032
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C20H20Cl2N2O2/c1-24(12-18(25)23-20-16(21)6-3-7-17(20)22)19(26)11-13-8-9-14-4-2-5-15(14)10-13/h3,6-10H,2,4-5,11-12H2,1H3,(H,23,25)
InChIKeyJRKCOGRGAOBQRR-UHFFFAOYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide (CID 8622032) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide?
The InChIKey is JRKCOGRGAOBQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-24(12-18(25)23-20-16(21)6-3-7-17(20)22)19(26)11-13-8-9-14-4-2-5-15(14)10-13/h3,6-10H,2,4-5,11-12H2,1H3,(H,23,25).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide has a molecular weight of 391.30 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide is sourced from PubChem (CID 8622032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).