N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide

C15H12Cl2N2O4 — CID 22734457

IUPACN-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1OCCO2
InChIInChI=1S/C15H12Cl2N2O4/c1-21-11-3-2-8(13-14(11)23-5-4-22-13)15(20)19-12-9(16)6-18-7-10(12)17/h2-3,6-7H,4-5H2,1H3,(H,18,19,20)
InChIKeyNDVYNAQEJGLDPD-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.42
Rot. Bonds3

About N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide

N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide (PubChem CID 22734457) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
PubChem CID22734457
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1OCCO2
InChIInChI=1S/C15H12Cl2N2O4/c1-21-11-3-2-8(13-14(11)23-5-4-22-13)15(20)19-12-9(16)6-18-7-10(12)17/h2-3,6-7H,4-5H2,1H3,(H,18,19,20)
InChIKeyNDVYNAQEJGLDPD-UHFFFAOYSA-N
XLogP3.42
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide with MolForge

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide
CID 22734027
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346
3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2,3-dihydro-1-benzofuran-4-carboxamide
CID 22734461
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)-7-methoxy-3-phenyl-1-benzofuran-4-carboxamide
CID 22733967
7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide
CID 143332294
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 22734263
7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide
CID 141311762
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 22663199
8-(cyclopropanecarbonylamino)-N-(3,5-dichloro-4-pyridinyl)-4-methoxydibenzofuran-1-carboxamide
CID 11202218
1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one
CID 155429603
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide
CID 11546231

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide (CID 22734457) is N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1OCCO2.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
The InChIKey is NDVYNAQEJGLDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-21-11-3-2-8(13-14(11)23-5-4-22-13)15(20)19-12-9(16)6-18-7-10(12)17/h2-3,6-7H,4-5H2,1H3,(H,18,19,20).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide has a molecular weight of 355.18 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide is sourced from PubChem (CID 22734457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).