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6-chloro-N-ethyl-1H-indole-2-carboxamide

C11H11ClN2O — CID 47172452

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-chloro-N-ethyl-1H-indole-2-carboxamide
SMILESCCNC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H11ClN2O/c1-2-13-11(15)10-5-7-3-4-8(12)6-9(7)14-10/h3-6,14H,2H2,1H3,(H,13,15)
InChIKeyCEJGFKVBCGMVRY-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.57
Rot. Bonds2

About 6-chloro-N-ethyl-1H-indole-2-carboxamide

6-chloro-N-ethyl-1H-indole-2-carboxamide (PubChem CID 47172452) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 6-chloro-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-1H-indole-2-carboxamide
PubChem CID47172452
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name6-chloro-N-ethyl-1H-indole-2-carboxamide
SMILESCCNC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H11ClN2O/c1-2-13-11(15)10-5-7-3-4-8(12)6-9(7)14-10/h3-6,14H,2H2,1H3,(H,13,15)
InChIKeyCEJGFKVBCGMVRY-UHFFFAOYSA-N
XLogP2.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-ethyl-1H-indole-2-carboxamide (CID 47172452) is 6-chloro-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-ethyl-1H-indole-2-carboxamide is CCNC(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is CEJGFKVBCGMVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-13-11(15)10-5-7-3-4-8(12)6-9(7)14-10/h3-6,14H,2H2,1H3,(H,13,15).
What are the key properties of 6-chloro-N-ethyl-1H-indole-2-carboxamide?
6-chloro-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 222.67 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 47172452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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