N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide

C21H25FN2O — CID 166202533

IUPACN-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NC1CCc2ccc(F)cc21
InChIInChI=1S/C21H25FN2O/c1-13-5-9-16(23-20(25)21(2,3)4)12-19(13)24-18-10-7-14-6-8-15(22)11-17(14)18/h5-6,8-9,11-12,18,24H,7,10H2,1-4H3,(H,23,25)
InChIKeyZOLYYIRGAKGBAF-UHFFFAOYSA-N
MW340.44 g/mol
LogP5.22
Rot. Bonds3

About N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide

N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 166202533) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide
PubChem CID166202533
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC NameN-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NC1CCc2ccc(F)cc21
InChIInChI=1S/C21H25FN2O/c1-13-5-9-16(23-20(25)21(2,3)4)12-19(13)24-18-10-7-14-6-8-15(22)11-17(14)18/h5-6,8-9,11-12,18,24H,7,10H2,1-4H3,(H,23,25)
InChIKeyZOLYYIRGAKGBAF-UHFFFAOYSA-N
XLogP5.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.44
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
4-[5-(2,2-dimethylpropanoylamino)-2-methylanilino]cyclohexane-1-carboxylic acid
CID 122029833
1-[3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-methylsulfonylphenyl]ethanone
CID 124886101
N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide
CID 43672603
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide
CID 119321946
N-[4-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfamoyl]phenyl]acetamide
CID 95317507
2-[4-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017465
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015790
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
CID 119321965
3-(2,2-dimethylpropanoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 55527753

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide (CID 166202533) is N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide is Cc1ccc(NC(=O)C(C)(C)C)cc1NC1CCc2ccc(F)cc21.
What is the InChIKey of N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is ZOLYYIRGAKGBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-13-5-9-16(23-20(25)21(2,3)4)12-19(13)24-18-10-7-14-6-8-15(22)11-17(14)18/h5-6,8-9,11-12,18,24H,7,10H2,1-4H3,(H,23,25).
What are the key properties of N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide?
N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 340.44 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 166202533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).