N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide

C12H12Cl2N2O — CID 70222196

IUPACN-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1c[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H12Cl2N2O/c1-3-16(7(2)17)10-6-15-12-8(10)4-5-9(13)11(12)14/h4-6,15H,3H2,1-2H3
InChIKeyXIDULONPUNETLQ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.85
Rot. Bonds2

About N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide

N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide (PubChem CID 70222196) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide
PubChem CID70222196
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC NameN-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1c[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H12Cl2N2O/c1-3-16(7(2)17)10-6-15-12-8(10)4-5-9(13)11(12)14/h4-6,15H,3H2,1-2H3
InChIKeyXIDULONPUNETLQ-UHFFFAOYSA-N
XLogP3.85
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide?
The IUPAC name of N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide (CID 70222196) is N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide.
What is the SMILES notation for N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide?
The canonical SMILES for N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide is CCN(C(C)=O)c1c[nH]c2c(Cl)c(Cl)ccc12.
What is the InChIKey of N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide?
The InChIKey is XIDULONPUNETLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-3-16(7(2)17)10-6-15-12-8(10)4-5-9(13)11(12)14/h4-6,15H,3H2,1-2H3.
What are the key properties of N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide?
N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide has a molecular weight of 271.15 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dichloro-1H-indol-3-yl)-N-ethylacetamide is sourced from PubChem (CID 70222196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).