2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide

C15H13FN2O3 — CID 43705412

IUPAC2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide
SMILESNC(=O)c1cc(NC2COc3cc(O)ccc32)ccc1F
InChIInChI=1S/C15H13FN2O3/c16-12-4-1-8(5-11(12)15(17)20)18-13-7-21-14-6-9(19)2-3-10(13)14/h1-6,13,18-19H,7H2,(H2,17,20)
InChIKeyMKYPSQKDJDJLEM-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.18
Rot. Bonds3

About 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide

2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide (PubChem CID 43705412) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide
PubChem CID43705412
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide
SMILESNC(=O)c1cc(NC2COc3cc(O)ccc32)ccc1F
InChIInChI=1S/C15H13FN2O3/c16-12-4-1-8(5-11(12)15(17)20)18-13-7-21-14-6-9(19)2-3-10(13)14/h1-6,13,18-19H,7H2,(H2,17,20)
InChIKeyMKYPSQKDJDJLEM-UHFFFAOYSA-N
XLogP2.18
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide?
The IUPAC name of 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide (CID 43705412) is 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide.
What is the SMILES notation for 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide?
The canonical SMILES for 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide is NC(=O)c1cc(NC2COc3cc(O)ccc32)ccc1F.
What is the InChIKey of 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide?
The InChIKey is MKYPSQKDJDJLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-12-4-1-8(5-11(12)15(17)20)18-13-7-21-14-6-9(19)2-3-10(13)14/h1-6,13,18-19H,7H2,(H2,17,20).
What are the key properties of 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide?
2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide has a molecular weight of 288.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide is sourced from PubChem (CID 43705412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).