N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide

C18H9Cl2F2N3O4 — CID 123491984

IUPACN-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide
SMILESO=C(c1ccc(OC(F)F)c2oc3ccncc3c12)N(O)c1c(Cl)cncc1Cl
InChIInChI=1S/C18H9Cl2F2N3O4/c19-10-6-24-7-11(20)15(10)25(27)17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H
InChIKeyHQNCFILBYQTXGY-UHFFFAOYSA-N
MW440.19 g/mol
LogP5.32
Rot. Bonds4

About N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide

N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide (PubChem CID 123491984) has the molecular formula C18H9Cl2F2N3O4 and a molecular weight of 440.19 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide
PubChem CID123491984
Molecular FormulaC18H9Cl2F2N3O4
Molecular Weight440.19 g/mol
Exact Mass438.99
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide
SMILESO=C(c1ccc(OC(F)F)c2oc3ccncc3c12)N(O)c1c(Cl)cncc1Cl
InChIInChI=1S/C18H9Cl2F2N3O4/c19-10-6-24-7-11(20)15(10)25(27)17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H
InChIKeyHQNCFILBYQTXGY-UHFFFAOYSA-N
XLogP5.32
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.19
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide with MolForge

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide
CID 91364495
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide
CID 90835343
8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide
CID 140504441
sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
CID 143227101
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
CID 11678716
3-chloropropyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-(difluoromethoxy)dibenzofuran-2-yl]methanimidate
CID 58867885
1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone
CID 143212775
4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-one
CID 54577521
4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-pentylpyrrolidin-2-one
CID 54577086
4-[6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridin-9-yl]-1-propylpyrrolidin-2-one
CID 67452382
ethyl (E)-3-[8-(difluoromethoxy)-[1]benzofuro[2,3-c]pyridin-5-yl]prop-2-enoate
CID 67453021

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide (CID 123491984) is N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide is O=C(c1ccc(OC(F)F)c2oc3ccncc3c12)N(O)c1c(Cl)cncc1Cl.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide?
The InChIKey is HQNCFILBYQTXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F2N3O4/c19-10-6-24-7-11(20)15(10)25(27)17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H.
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide has a molecular weight of 440.19 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide is sourced from PubChem (CID 123491984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).