8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide

C23H16Cl3F2N3O4 — CID 140504441

IUPAC8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide
SMILESNC(=O)c1ccc(OC(F)F)c2oc3ccc(C(=O)N(CCCCl)c4c(Cl)cncc4Cl)cc3c12
InChIInChI=1S/C23H16Cl3F2N3O4/c24-6-1-7-31(19-14(25)9-30-10-15(19)26)22(33)11-2-4-16-13(8-11)18-12(21(29)32)3-5-17(20(18)34-16)35-23(27)28/h2-5,8-10,23H,1,6-7H2,(H2,29,32)
InChIKeyIJGMKWCSYRFWOU-UHFFFAOYSA-N
MW542.75 g/mol
LogP6.26
Rot. Bonds8

About 8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide

8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide (PubChem CID 140504441) has the molecular formula C23H16Cl3F2N3O4 and a molecular weight of 542.75 g/mol. Its IUPAC name is 8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide.

Molecular Properties

Compound Name8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide
PubChem CID140504441
Molecular FormulaC23H16Cl3F2N3O4
Molecular Weight542.75 g/mol
Exact Mass541.02
IUPAC Name8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide
SMILESNC(=O)c1ccc(OC(F)F)c2oc3ccc(C(=O)N(CCCCl)c4c(Cl)cncc4Cl)cc3c12
InChIInChI=1S/C23H16Cl3F2N3O4/c24-6-1-7-31(19-14(25)9-30-10-15(19)26)22(33)11-2-4-16-13(8-11)18-12(21(29)32)3-5-17(20(18)34-16)35-23(27)28/h2-5,8-10,23H,1,6-7H2,(H2,29,32)
InChIKeyIJGMKWCSYRFWOU-UHFFFAOYSA-N
XLogP6.26
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.75
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide
CID 123491984
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide
CID 91364495
3-chloropropyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-(difluoromethoxy)dibenzofuran-2-yl]methanimidate
CID 58867885
N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
CID 143227101
sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone
CID 143212775
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
CID 11678716
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide
CID 90835343
N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide
CID 69282533
N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
CID 11202725
2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone
CID 67149115
2-hydroxyethyl 3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]benzoate
CID 71262433

Frequently Asked Questions

What is the IUPAC name of 8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide?
The IUPAC name of 8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide (CID 140504441) is 8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide.
What is the SMILES notation for 8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide?
The canonical SMILES for 8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide is NC(=O)c1ccc(OC(F)F)c2oc3ccc(C(=O)N(CCCCl)c4c(Cl)cncc4Cl)cc3c12.
What is the InChIKey of 8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide?
The InChIKey is IJGMKWCSYRFWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3F2N3O4/c24-6-1-7-31(19-14(25)9-30-10-15(19)26)22(33)11-2-4-16-13(8-11)18-12(21(29)32)3-5-17(20(18)34-16)35-23(27)28/h2-5,8-10,23H,1,6-7H2,(H2,29,32).
What are the key properties of 8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide?
8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide has a molecular weight of 542.75 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide is sourced from PubChem (CID 140504441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).