N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide

C19H19N3O — CID 71811925

IUPACN-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(CC#N)cc1
InChIInChI=1S/C19H19N3O/c1-14(23)21-18-6-7-19-17(12-18)9-11-22(19)13-16-4-2-15(3-5-16)8-10-20/h2-7,12H,8-9,11,13H2,1H3,(H,21,23)
InChIKeyMFPMSAWEOFTPCS-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.27
Rot. Bonds4

About N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide

N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (PubChem CID 71811925) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
PubChem CID71811925
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(CC#N)cc1
InChIInChI=1S/C19H19N3O/c1-14(23)21-18-6-7-19-17(12-18)9-11-22(19)13-16-4-2-15(3-5-16)8-10-20/h2-7,12H,8-9,11,13H2,1H3,(H,21,23)
InChIKeyMFPMSAWEOFTPCS-UHFFFAOYSA-N
XLogP3.27
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
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 N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The IUPAC name of N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide (CID 71811925) is N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The canonical SMILES for N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(CC#N)cc1.
What is the InChIKey of N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
The InChIKey is MFPMSAWEOFTPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14(23)21-18-6-7-19-17(12-18)9-11-22(19)13-16-4-2-15(3-5-16)8-10-20/h2-7,12H,8-9,11,13H2,1H3,(H,21,23).
What are the key properties of N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide?
N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide is sourced from PubChem (CID 71811925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).