3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide

C20H22FNO2 — CID 142084775

IUPAC3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide
SMILESCc1ccc2c(c1)COC2(CCC(=O)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2/c1-14-4-9-18-15(12-14)13-24-20(18,11-10-19(23)22(2)3)16-5-7-17(21)8-6-16/h4-9,12H,10-11,13H2,1-3H3
InChIKeyGYZIQPOSDCEPRK-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.78
Rot. Bonds4

About 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide

3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide (PubChem CID 142084775) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide
PubChem CID142084775
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide
SMILESCc1ccc2c(c1)COC2(CCC(=O)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2/c1-14-4-9-18-15(12-14)13-24-20(18,11-10-19(23)22(2)3)16-5-7-17(21)8-6-16/h4-9,12H,10-11,13H2,1-3H3
InChIKeyGYZIQPOSDCEPRK-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide 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

ethyl (1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylate
CID 45257357
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxamide
CID 10193515
carbonic acid;(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
CID 175400257
3-[(1S)-5-chloro-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 11382036
3-[5-bromo-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine;hydrobromide
CID 71587748
4-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]butanoic acid
CID 71587640
3-[1-(4-fluorophenyl)-5-(hydroperoxymethyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 22956602
2-[3-[1-(4-fluorophenyl)-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]propyl-methylamino]propanoic acid
CID 11166179
[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl-methylamino]phosphonic acid
CID 58600286
2-[2-[1-(4-chlorophenyl)-5-(4-methylphenyl)-3H-2-benzofuran-1-yl]ethyl-methylamino]acetic acid
CID 11224344
3-(3,3-dimethoxypropyl)-3-(4-fluorophenyl)-6-isocyano-1H-2-benzofuran
CID 22094947
tert-butyl N-[3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl]-N-methylcarbamate
CID 56950404

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide (CID 142084775) is 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide is Cc1ccc2c(c1)COC2(CCC(=O)N(C)C)c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide?
The InChIKey is GYZIQPOSDCEPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-14-4-9-18-15(12-14)13-24-20(18,11-10-19(23)22(2)3)16-5-7-17(21)8-6-16/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide?
3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide has a molecular weight of 327.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 142084775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).