2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide

C21H24FNO2 — CID 112822520

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C21H24FNO2/c1-23(12-3-13-25-20-10-8-19(22)9-11-20)21(24)15-16-6-7-17-4-2-5-18(17)14-16/h6-11,14H,2-5,12-13,15H2,1H3
InChIKeyIDFFQWLTEGFBSK-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.78
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide (PubChem CID 112822520) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
PubChem CID112822520
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C21H24FNO2/c1-23(12-3-13-25-20-10-8-19(22)9-11-20)21(24)15-16-6-7-17-4-2-5-18(17)14-16/h6-11,14H,2-5,12-13,15H2,1H3
InChIKeyIDFFQWLTEGFBSK-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-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

Related Compounds

4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
CID 43240409
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 112837369
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
CID 43239744
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100562896
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
N-[2-(2-hydroxyphenyl)ethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 75454981
N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 55898481
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 8622110
N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119733058
2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431133

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide (CID 112822520) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide is CN(CCCOc1ccc(F)cc1)C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide?
The InChIKey is IDFFQWLTEGFBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-23(12-3-13-25-20-10-8-19(22)9-11-20)21(24)15-16-6-7-17-4-2-5-18(17)14-16/h6-11,14H,2-5,12-13,15H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide has a molecular weight of 341.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide is sourced from PubChem (CID 112822520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).