7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide

C12H13ClN2O2 — CID 167229548

IUPAC7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide
SMILESCCNC(=O)c1cc2cc(OC)cc(Cl)c2[nH]1
InChIInChI=1S/C12H13ClN2O2/c1-3-14-12(16)10-5-7-4-8(17-2)6-9(13)11(7)15-10/h4-6,15H,3H2,1-2H3,(H,14,16)
InChIKeyMCBKQUFQDOYLDI-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.58
Rot. Bonds3

About 7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide

7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide (PubChem CID 167229548) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide
PubChem CID167229548
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide
SMILESCCNC(=O)c1cc2cc(OC)cc(Cl)c2[nH]1
InChIInChI=1S/C12H13ClN2O2/c1-3-14-12(16)10-5-7-4-8(17-2)6-9(13)11(7)15-10/h4-6,15H,3H2,1-2H3,(H,14,16)
InChIKeyMCBKQUFQDOYLDI-UHFFFAOYSA-N
XLogP2.58
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide (CID 167229548) is 7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide is CCNC(=O)c1cc2cc(OC)cc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is MCBKQUFQDOYLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-3-14-12(16)10-5-7-4-8(17-2)6-9(13)11(7)15-10/h4-6,15H,3H2,1-2H3,(H,14,16).
What are the key properties of 7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide?
7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-ethyl-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 167229548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).