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

C16H16N2O — CID 1225695

IUPACN-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C16H16N2O/c1-12-6-8-14(9-7-12)17-16(19)18-11-10-13-4-2-3-5-15(13)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyGOARQAIUWMZDRT-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.59
Rot. Bonds1

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

N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 1225695) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID1225695
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C16H16N2O/c1-12-6-8-14(9-7-12)17-16(19)18-11-10-13-4-2-3-5-15(13)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyGOARQAIUWMZDRT-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide (CID 1225695) is N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide is Cc1ccc(NC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is GOARQAIUWMZDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-6-8-14(9-7-12)17-16(19)18-11-10-13-4-2-3-5-15(13)18/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide?
N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 1225695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).