3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane

C18H21FN2O2 — CID 144548156

IUPAC3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane
SMILESCC.Nc1cc(C(=O)NC2c3ccccc3CC2O)ccc1F
InChIInChI=1S/C16H15FN2O2.C2H6/c17-12-6-5-10(7-13(12)18)16(21)19-15-11-4-2-1-3-9(11)8-14(15)20;1-2/h1-7,14-15,20H,8,18H2,(H,19,21);1-2H3
InChIKeyFTQIEZKLDZIDEY-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.82
Rot. Bonds2

About 3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane

3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane (PubChem CID 144548156) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane
PubChem CID144548156
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane
SMILESCC.Nc1cc(C(=O)NC2c3ccccc3CC2O)ccc1F
InChIInChI=1S/C16H15FN2O2.C2H6/c17-12-6-5-10(7-13(12)18)16(21)19-15-11-4-2-1-3-9(11)8-14(15)20;1-2/h1-7,14-15,20H,8,18H2,(H,19,21);1-2H3
InChIKeyFTQIEZKLDZIDEY-UHFFFAOYSA-N
XLogP2.82
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane?
The IUPAC name of 3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane (CID 144548156) is 3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane.
What is the SMILES notation for 3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane?
The canonical SMILES for 3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane is CC.Nc1cc(C(=O)NC2c3ccccc3CC2O)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane?
The InChIKey is FTQIEZKLDZIDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2.C2H6/c17-12-6-5-10(7-13(12)18)16(21)19-15-11-4-2-1-3-9(11)8-14(15)20;1-2/h1-7,14-15,20H,8,18H2,(H,19,21);1-2H3.
What are the key properties of 3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane?
3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane has a molecular weight of 316.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane is sourced from PubChem (CID 144548156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).