7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide

C18H15Cl2N3O4 — CID 143332294

IUPAC7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide
SMILESCCNC(=O)c1cc2c(OC)ccc(C(=O)Nc3c(Cl)cncc3Cl)c2o1
InChIInChI=1S/C18H15Cl2N3O4/c1-3-22-18(25)14-6-10-13(26-2)5-4-9(16(10)27-14)17(24)23-15-11(19)7-21-8-12(15)20/h4-8H,3H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyJSGLDYNPICEAJH-UHFFFAOYSA-N
MW408.24 g/mol
LogP4.15
Rot. Bonds5

About 7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide

7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide (PubChem CID 143332294) has the molecular formula C18H15Cl2N3O4 and a molecular weight of 408.24 g/mol. Its IUPAC name is 7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide
PubChem CID143332294
Molecular FormulaC18H15Cl2N3O4
Molecular Weight408.24 g/mol
Exact Mass407.04
IUPAC Name7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide
SMILESCCNC(=O)c1cc2c(OC)ccc(C(=O)Nc3c(Cl)cncc3Cl)c2o1
InChIInChI=1S/C18H15Cl2N3O4/c1-3-22-18(25)14-6-10-13(26-2)5-4-9(16(10)27-14)17(24)23-15-11(19)7-21-8-12(15)20/h4-8H,3H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyJSGLDYNPICEAJH-UHFFFAOYSA-N
XLogP4.15
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide with MolForge

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346
7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide
CID 141311762
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
ethyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]methanimidate
CID 58867875
N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
CID 11202725
sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
CID 172996861
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide
CID 22734027
N-(2,6-dichlorophenyl)-2,3,4-trimethoxybenzamide
CID 2347602
8-(cyclopropanecarbonylamino)-N-(3,5-dichloro-4-pyridinyl)-4-methoxydibenzofuran-1-carboxamide
CID 11202218
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-phenyl-1-benzofuran-4-carboxamide
CID 22733967
N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide
CID 11156433
sodium 2-[[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]amino]-2-oxoacetate
CID 23686730

Frequently Asked Questions

What is the IUPAC name of 7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide?
The IUPAC name of 7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide (CID 143332294) is 7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide.
What is the SMILES notation for 7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide?
The canonical SMILES for 7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide is CCNC(=O)c1cc2c(OC)ccc(C(=O)Nc3c(Cl)cncc3Cl)c2o1.
What is the InChIKey of 7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide?
The InChIKey is JSGLDYNPICEAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4/c1-3-22-18(25)14-6-10-13(26-2)5-4-9(16(10)27-14)17(24)23-15-11(19)7-21-8-12(15)20/h4-8H,3H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide?
7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide has a molecular weight of 408.24 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide is sourced from PubChem (CID 143332294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).