4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide

C17H16N2O5 — CID 42649057

IUPAC4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H16N2O5/c1-22-12-8-7-11-13(14(12)23-2)17(21)24-16(11)19-10-5-3-9(4-6-10)15(18)20/h3-8,16,19H,1-2H3,(H2,18,20)
InChIKeyFAFOMRZWWJXKNA-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.08
Rot. Bonds5

About 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide

4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide (PubChem CID 42649057) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide
PubChem CID42649057
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H16N2O5/c1-22-12-8-7-11-13(14(12)23-2)17(21)24-16(11)19-10-5-3-9(4-6-10)15(18)20/h3-8,16,19H,1-2H3,(H2,18,20)
InChIKeyFAFOMRZWWJXKNA-UHFFFAOYSA-N
XLogP2.08
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2849172
3-(3,4-dimethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3771406
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-[[2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzamide
CID 99987333
3-(4-ethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2863991
(3S)-3-(3-iodoanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7657817
(3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 914872
(3R)-3-[4-(diethylamino)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7574660
(Z)-3-[3-[[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]phenyl]prop-2-enoic acid
CID 2308646
1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea
CID 6574304
(3R)-3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 949985

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide?
The IUPAC name of 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide (CID 42649057) is 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide.
What is the SMILES notation for 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide?
The canonical SMILES for 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide is COc1ccc2c(c1OC)C(=O)OC2Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide?
The InChIKey is FAFOMRZWWJXKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-22-12-8-7-11-13(14(12)23-2)17(21)24-16(11)19-10-5-3-9(4-6-10)15(18)20/h3-8,16,19H,1-2H3,(H2,18,20).
What are the key properties of 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide?
4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide has a molecular weight of 328.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide is sourced from PubChem (CID 42649057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).