4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide

C22H16Cl2N2O4 — CID 90904706

IUPAC4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide
SMILESO=C(c1ccc(OCC2CC2)c2oc3ccccc3c12)N(O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N2O4/c23-13-9-16(24)21(25-10-13)26(28)22(27)15-7-8-18(29-11-12-5-6-12)20-19(15)14-3-1-2-4-17(14)30-20/h1-4,7-10,12,28H,5-6,11H2
InChIKeyAJEPAEHNHXBIPV-UHFFFAOYSA-N
MW443.29 g/mol
LogP6.11
Rot. Bonds5

About 4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide

4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide (PubChem CID 90904706) has the molecular formula C22H16Cl2N2O4 and a molecular weight of 443.29 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide
PubChem CID90904706
Molecular FormulaC22H16Cl2N2O4
Molecular Weight443.29 g/mol
Exact Mass442.05
IUPAC Name4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide
SMILESO=C(c1ccc(OCC2CC2)c2oc3ccccc3c12)N(O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N2O4/c23-13-9-16(24)21(25-10-13)26(28)22(27)15-7-8-18(29-11-12-5-6-12)20-19(15)14-3-1-2-4-17(14)30-20/h1-4,7-10,12,28H,5-6,11H2
InChIKeyAJEPAEHNHXBIPV-UHFFFAOYSA-N
XLogP6.11
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.29
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide (CID 90904706) is 4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide is O=C(c1ccc(OCC2CC2)c2oc3ccccc3c12)N(O)c1ncc(Cl)cc1Cl.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide?
The InChIKey is AJEPAEHNHXBIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O4/c23-13-9-16(24)21(25-10-13)26(28)22(27)15-7-8-18(29-11-12-5-6-12)20-19(15)14-3-1-2-4-17(14)30-20/h1-4,7-10,12,28H,5-6,11H2.
What are the key properties of 4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide?
4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide has a molecular weight of 443.29 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide is sourced from PubChem (CID 90904706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).