2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide

C18H18ClNO — CID 134795642

IUPAC2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(Cl)c1)C1CCc2ccccc21
InChIInChI=1S/C18H18ClNO/c1-20(17-10-9-14-6-2-3-8-16(14)17)18(21)12-13-5-4-7-15(19)11-13/h2-8,11,17H,9-10,12H2,1H3
InChIKeyPTKZOJGJHAOWBW-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.03
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide

2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide (PubChem CID 134795642) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
PubChem CID134795642
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(Cl)c1)C1CCc2ccccc21
InChIInChI=1S/C18H18ClNO/c1-20(17-10-9-14-6-2-3-8-16(14)17)18(21)12-13-5-4-7-15(19)11-13/h2-8,11,17H,9-10,12H2,1H3
InChIKeyPTKZOJGJHAOWBW-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide 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 2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide (CID 134795642) is 2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide is CN(C(=O)Cc1cccc(Cl)c1)C1CCc2ccccc21.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
The InChIKey is PTKZOJGJHAOWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-20(17-10-9-14-6-2-3-8-16(14)17)18(21)12-13-5-4-7-15(19)11-13/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide?
2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide has a molecular weight of 299.80 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide is sourced from PubChem (CID 134795642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).