N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide

C21H16Cl2N2O3 — CID 140504432

IUPACN-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide
SMILESCC(C)(ONC(=O)c1cccc2oc3ccccc3c12)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H16Cl2N2O3/c1-21(2,19-14(22)10-24-11-15(19)23)28-25-20(26)13-7-5-9-17-18(13)12-6-3-4-8-16(12)27-17/h3-11H,1-2H3,(H,25,26)
InChIKeyQZFWOLFTWGGIMV-UHFFFAOYSA-N
MW415.28 g/mol
LogP5.88
Rot. Bonds4

About N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide

N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide (PubChem CID 140504432) has the molecular formula C21H16Cl2N2O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide
PubChem CID140504432
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.28 g/mol
Exact Mass414.05
IUPAC NameN-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide
SMILESCC(C)(ONC(=O)c1cccc2oc3ccccc3c12)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H16Cl2N2O3/c1-21(2,19-14(22)10-24-11-15(19)23)28-25-20(26)13-7-5-9-17-18(13)12-6-3-4-8-16(12)27-17/h3-11H,1-2H3,(H,25,26)
InChIKeyQZFWOLFTWGGIMV-UHFFFAOYSA-N
XLogP5.88
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.28
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide?
The IUPAC name of N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide (CID 140504432) is N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide is CC(C)(ONC(=O)c1cccc2oc3ccccc3c12)c1c(Cl)cncc1Cl.
What is the InChIKey of N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide?
The InChIKey is QZFWOLFTWGGIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3/c1-21(2,19-14(22)10-24-11-15(19)23)28-25-20(26)13-7-5-9-17-18(13)12-6-3-4-8-16(12)27-17/h3-11H,1-2H3,(H,25,26).
What are the key properties of N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide?
N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide has a molecular weight of 415.28 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-4-pyridinyl)propan-2-yloxy]dibenzofuran-1-carboxamide is sourced from PubChem (CID 140504432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).