N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide

C23H22N2O — CID 4566096

IUPACN-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O/c26-22(17-25-16-15-18-9-7-8-14-21(18)25)24-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,23H,15-17H2,(H,24,26)
InChIKeyNBWULWDWTVRVTK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.95
Rot. Bonds5

About N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide

N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide (PubChem CID 4566096) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide
PubChem CID4566096
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC NameN-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O/c26-22(17-25-16-15-18-9-7-8-14-21(18)25)24-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,23H,15-17H2,(H,24,26)
InChIKeyNBWULWDWTVRVTK-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide (CID 4566096) is N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide is O=C(CN1CCc2ccccc21)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide?
The InChIKey is NBWULWDWTVRVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c26-22(17-25-16-15-18-9-7-8-14-21(18)25)24-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,23H,15-17H2,(H,24,26).
What are the key properties of N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide?
N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 4566096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).