N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide

C16H16N2O — CID 1131221

IUPACN-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H16N2O/c1-12(19)17-15-6-8-16(9-7-15)18-10-13-4-2-3-5-14(13)11-18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyYUQOKABAGILTHN-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.17
Rot. Bonds2

About N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide

N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide (PubChem CID 1131221) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide
PubChem CID1131221
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H16N2O/c1-12(19)17-15-6-8-16(9-7-15)18-10-13-4-2-3-5-14(13)11-18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyYUQOKABAGILTHN-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide (CID 1131221) is N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide?
The InChIKey is YUQOKABAGILTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12(19)17-15-6-8-16(9-7-15)18-10-13-4-2-3-5-14(13)11-18/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide?
N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide has a molecular weight of 252.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dihydroisoindol-2-yl)phenyl]acetamide is sourced from PubChem (CID 1131221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).