4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide

C17H17FN2O — CID 62679857

IUPAC4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)c(F)c1)C1CCc2ccccc21
InChIInChI=1S/C17H17FN2O/c1-20(16-9-7-11-4-2-3-5-13(11)16)17(21)12-6-8-15(19)14(18)10-12/h2-6,8,10,16H,7,9,19H2,1H3
InChIKeyFGLYMHIHHWUBNN-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.17
Rot. Bonds2

About 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide

4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide (PubChem CID 62679857) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide
PubChem CID62679857
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)c(F)c1)C1CCc2ccccc21
InChIInChI=1S/C17H17FN2O/c1-20(16-9-7-11-4-2-3-5-13(11)16)17(21)12-6-8-15(19)14(18)10-12/h2-6,8,10,16H,7,9,19H2,1H3
InChIKeyFGLYMHIHHWUBNN-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide (CID 62679857) is 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(N)c(F)c1)C1CCc2ccccc21.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide?
The InChIKey is FGLYMHIHHWUBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20(16-9-7-11-4-2-3-5-13(11)16)17(21)12-6-8-15(19)14(18)10-12/h2-6,8,10,16H,7,9,19H2,1H3.
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide?
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide has a molecular weight of 284.33 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 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 62679857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).