4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide

C18H19N3O2 — CID 71812022

IUPAC4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H19N3O2/c1-12(22)20-16-6-7-17-15(10-16)8-9-21(17)11-13-2-4-14(5-3-13)18(19)23/h2-7,10H,8-9,11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyOHIUJFOUOMKLDS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.31
Rot. Bonds4

About 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide

4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide (PubChem CID 71812022) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide
PubChem CID71812022
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H19N3O2/c1-12(22)20-16-6-7-17-15(10-16)8-9-21(17)11-13-2-4-14(5-3-13)18(19)23/h2-7,10H,8-9,11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyOHIUJFOUOMKLDS-UHFFFAOYSA-N
XLogP2.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide?
The IUPAC name of 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide (CID 71812022) is 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide.
What is the SMILES notation for 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide?
The canonical SMILES for 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide is CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide?
The InChIKey is OHIUJFOUOMKLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(22)20-16-6-7-17-15(10-16)8-9-21(17)11-13-2-4-14(5-3-13)18(19)23/h2-7,10H,8-9,11H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide?
4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide is sourced from PubChem (CID 71812022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).