7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide

C19H13Cl2N3O3 — CID 141311762

IUPAC7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2oc3cc(N)ccc3c12
InChIInChI=1S/C19H13Cl2N3O3/c1-26-14-5-4-11(19(25)24-17-12(20)7-23-8-13(17)21)18-16(14)10-3-2-9(22)6-15(10)27-18/h2-8H,22H2,1H3,(H,23,24,25)
InChIKeyVKBXSEQZTRAHIA-UHFFFAOYSA-N
MW402.24 g/mol
LogP5.13
Rot. Bonds3

About 7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide

7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide (PubChem CID 141311762) has the molecular formula C19H13Cl2N3O3 and a molecular weight of 402.24 g/mol. Its IUPAC name is 7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide.

Molecular Properties

Compound Name7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide
PubChem CID141311762
Molecular FormulaC19H13Cl2N3O3
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC Name7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2oc3cc(N)ccc3c12
InChIInChI=1S/C19H13Cl2N3O3/c1-26-14-5-4-11(19(25)24-17-12(20)7-23-8-13(17)21)18-16(14)10-3-2-9(22)6-15(10)27-18/h2-8H,22H2,1H3,(H,23,24,25)
InChIKeyVKBXSEQZTRAHIA-UHFFFAOYSA-N
XLogP5.13
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.24
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346
sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
CID 172996861
8-(cyclopropanecarbonylamino)-N-(3,5-dichloro-4-pyridinyl)-4-methoxydibenzofuran-1-carboxamide
CID 11202218
7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide
CID 143332294
sodium 2-[[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]amino]-2-oxoacetate
CID 23686730
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
N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide
CID 69282533
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-phenyl-1-benzofuran-4-carboxamide
CID 22733967
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide
CID 22734027
5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
CID 61094355

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide?
The IUPAC name of 7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide (CID 141311762) is 7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide.
What is the SMILES notation for 7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide?
The canonical SMILES for 7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2oc3cc(N)ccc3c12.
What is the InChIKey of 7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide?
The InChIKey is VKBXSEQZTRAHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3/c1-26-14-5-4-11(19(25)24-17-12(20)7-23-8-13(17)21)18-16(14)10-3-2-9(22)6-15(10)27-18/h2-8H,22H2,1H3,(H,23,24,25).
What are the key properties of 7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide?
7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide has a molecular weight of 402.24 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide is sourced from PubChem (CID 141311762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).