(3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one

C16H14FNO4 — CID 914872

IUPAC(3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cccc(F)c1
InChIInChI=1S/C16H14FNO4/c1-20-12-7-6-11-13(14(12)21-2)16(19)22-15(11)18-10-5-3-4-9(17)8-10/h3-8,15,18H,1-2H3/t15-/m1/s1
InChIKeyBHAORDYATYVHRL-OAHLLOKOSA-N
MW303.29 g/mol
LogP3.12
Rot. Bonds4

About (3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one

(3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one (PubChem CID 914872) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is (3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
PubChem CID914872
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name(3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cccc(F)c1
InChIInChI=1S/C16H14FNO4/c1-20-12-7-6-11-13(14(12)21-2)16(19)22-15(11)18-10-5-3-4-9(17)8-10/h3-8,15,18H,1-2H3/t15-/m1/s1
InChIKeyBHAORDYATYVHRL-OAHLLOKOSA-N
XLogP3.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dimethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3771406
(3S)-3-(3-iodoanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7657817
3-(5-fluoro-2-methylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 42649147
3-[[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]benzoic acid
CID 7657786
3-(4-ethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3627460
4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide
CID 42649057
(Z)-3-[3-[[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]phenyl]prop-2-enoic acid
CID 2308646
(3R)-3-[4-(diethylamino)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7574660
3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3807565
(3R)-3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 949985
3-(4-ethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2863991
7-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-4-(trifluoromethyl)chromen-2-one
CID 3443986

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
The IUPAC name of (3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one (CID 914872) is (3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one is COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cccc(F)c1.
What is the InChIKey of (3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
The InChIKey is BHAORDYATYVHRL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-20-12-7-6-11-13(14(12)21-2)16(19)22-15(11)18-10-5-3-4-9(17)8-10/h3-8,15,18H,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
(3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one has a molecular weight of 303.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 914872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).