5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide

C16H13ClN2O2 — CID 162669945

IUPAC5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13ClN2O2/c1-21-11-5-2-9(3-6-11)14-12-8-10(17)4-7-13(12)19-15(14)16(18)20/h2-8,19H,1H3,(H2,18,20)
InChIKeyZAGIISOCLHIZTP-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.60
Rot. Bonds3

About 5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide

5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide (PubChem CID 162669945) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide
PubChem CID162669945
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13ClN2O2/c1-21-11-5-2-9(3-6-11)14-12-8-10(17)4-7-13(12)19-15(14)16(18)20/h2-8,19H,1H3,(H2,18,20)
InChIKeyZAGIISOCLHIZTP-UHFFFAOYSA-N
XLogP3.60
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide (CID 162669945) is 5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide is COc1ccc(-c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is ZAGIISOCLHIZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-11-5-2-9(3-6-11)14-12-8-10(17)4-7-13(12)19-15(14)16(18)20/h2-8,19H,1H3,(H2,18,20).
What are the key properties of 5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide?
5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methoxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 162669945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).