N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide

C12H13ClN2O — CID 70220108

IUPACN-(6-chloro-1H-indol-3-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H13ClN2O/c1-3-15(8(2)16)12-7-14-11-6-9(13)4-5-10(11)12/h4-7,14H,3H2,1-2H3
InChIKeyDVSQQXLEGOJVMR-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.19
Rot. Bonds2

About N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide

N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide (PubChem CID 70220108) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(6-chloro-1H-indol-3-yl)-N-ethylacetamide
PubChem CID70220108
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC NameN-(6-chloro-1H-indol-3-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H13ClN2O/c1-3-15(8(2)16)12-7-14-11-6-9(13)4-5-10(11)12/h4-7,14H,3H2,1-2H3
InChIKeyDVSQQXLEGOJVMR-UHFFFAOYSA-N
XLogP3.19
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-butan-2-yl-6-chloro-1H-indole-3-carboxamide
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2-amino-2-[(6-chloro-1H-indol-3-yl)methyl]-3-oxobutanoic acid
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2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
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6-chloro-3-(ethoxymethyl)-1H-indole
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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide?
The IUPAC name of N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide (CID 70220108) is N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide.
What is the SMILES notation for N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide?
The canonical SMILES for N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide is CCN(C(C)=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide?
The InChIKey is DVSQQXLEGOJVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-3-15(8(2)16)12-7-14-11-6-9(13)4-5-10(11)12/h4-7,14H,3H2,1-2H3.
What are the key properties of N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide?
N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide has a molecular weight of 236.70 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide is sourced from PubChem (CID 70220108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).