2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide

C19H16Cl2N2O2 — CID 25107969

IUPAC2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide
SMILESCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H16Cl2N2O2/c1-3-23(2)19(25)18(24)16-14-10-13(21)8-9-15(14)22-17(16)11-4-6-12(20)7-5-11/h4-10,22H,3H2,1-2H3
InChIKeyMXSAEJWMDJFXPT-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.80
Rot. Bonds4

About 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide

2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide (PubChem CID 25107969) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide
PubChem CID25107969
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide
SMILESCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H16Cl2N2O2/c1-3-23(2)19(25)18(24)16-14-10-13(21)8-9-15(14)22-17(16)11-4-6-12(20)7-5-11/h4-10,22H,3H2,1-2H3
InChIKeyMXSAEJWMDJFXPT-UHFFFAOYSA-N
XLogP4.80
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide?
The IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide (CID 25107969) is 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide is CCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide?
The InChIKey is MXSAEJWMDJFXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-3-23(2)19(25)18(24)16-14-10-13(21)8-9-15(14)22-17(16)11-4-6-12(20)7-5-11/h4-10,22H,3H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide?
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide has a molecular weight of 375.26 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide is sourced from PubChem (CID 25107969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).