N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide

C18H18N2O2 — CID 18587977

IUPACN-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-19-18(22)16-12-14-9-5-6-10-15(14)20(16)17(21)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,19,22)
InChIKeyCJWBJYWMRVGLTD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.93
Rot. Bonds3

About N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide

N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 18587977) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide
PubChem CID18587977
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-19-18(22)16-12-14-9-5-6-10-15(14)20(16)17(21)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,19,22)
InChIKeyCJWBJYWMRVGLTD-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide (CID 18587977) is N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is CJWBJYWMRVGLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-19-18(22)16-12-14-9-5-6-10-15(14)20(16)17(21)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,19,22).
What are the key properties of N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide?
N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylacetyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18587977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).