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

C17H17FN2O — CID 79489715

IUPAC3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC2CCc3c(F)cccc32)c1
InChIInChI=1S/C17H17FN2O/c1-19-17(21)11-4-2-5-12(10-11)20-16-9-8-13-14(16)6-3-7-15(13)18/h2-7,10,16,20H,8-9H2,1H3,(H,19,21)
InChIKeyHBENSVDFGWIGKB-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.28
Rot. Bonds3

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

3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide (PubChem CID 79489715) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
PubChem CID79489715
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC2CCc3c(F)cccc32)c1
InChIInChI=1S/C17H17FN2O/c1-19-17(21)11-4-2-5-12(10-11)20-16-9-8-13-14(16)6-3-7-15(13)18/h2-7,10,16,20H,8-9H2,1H3,(H,19,21)
InChIKeyHBENSVDFGWIGKB-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
The IUPAC name of 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide (CID 79489715) is 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
The canonical SMILES for 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide is CNC(=O)c1cccc(NC2CCc3c(F)cccc32)c1.
What is the InChIKey of 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
The InChIKey is HBENSVDFGWIGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-19-17(21)11-4-2-5-12(10-11)20-16-9-8-13-14(16)6-3-7-15(13)18/h2-7,10,16,20H,8-9H2,1H3,(H,19,21).
What are the key properties of 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide has a molecular weight of 284.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 79489715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).