3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide

C16H14F2N2O2 — CID 123918502

IUPAC3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESNc1cc(C(=O)NC2c3ccc(F)cc3CC2O)ccc1F
InChIInChI=1S/C16H14F2N2O2/c17-10-2-3-11-9(5-10)7-14(21)15(11)20-16(22)8-1-4-12(18)13(19)6-8/h1-6,14-15,21H,7,19H2,(H,20,22)
InChIKeyUTWBTJGCKHPBLF-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.94
Rot. Bonds2

About 3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide

3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 123918502) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID123918502
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESNc1cc(C(=O)NC2c3ccc(F)cc3CC2O)ccc1F
InChIInChI=1S/C16H14F2N2O2/c17-10-2-3-11-9(5-10)7-14(21)15(11)20-16(22)8-1-4-12(18)13(19)6-8/h1-6,14-15,21H,7,19H2,(H,20,22)
InChIKeyUTWBTJGCKHPBLF-UHFFFAOYSA-N
XLogP1.94
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.94
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-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide (CID 123918502) is 3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide is Nc1cc(C(=O)NC2c3ccc(F)cc3CC2O)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is UTWBTJGCKHPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-10-2-3-11-9(5-10)7-14(21)15(11)20-16(22)8-1-4-12(18)13(19)6-8/h1-6,14-15,21H,7,19H2,(H,20,22).
What are the key properties of 3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
3-amino-4-fluoro-N-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 304.30 g/mol, XLogP of 1.94, 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-(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 123918502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).