N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide

C16H16N2O2 — CID 894713

IUPACN-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C16H16N2O2/c1-20-14-8-6-13(7-9-14)17-16(19)18-11-10-12-4-2-3-5-15(12)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyNXEXJDFVTZWVIM-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.29
Rot. Bonds2

About N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide

N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 894713) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID894713
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C16H16N2O2/c1-20-14-8-6-13(7-9-14)17-16(19)18-11-10-12-4-2-3-5-15(12)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyNXEXJDFVTZWVIM-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide (CID 894713) is N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide is COc1ccc(NC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is NXEXJDFVTZWVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-14-8-6-13(7-9-14)17-16(19)18-11-10-12-4-2-3-5-15(12)18/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide?
N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 894713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).