N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide

C22H18Cl2N2O3 — CID 69282533

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide
SMILESCC(C)COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1oc1ccccc12
InChIInChI=1S/C22H18Cl2N2O3/c1-12(2)11-28-18-8-7-14(19-13-5-3-4-6-17(13)29-21(18)19)22(27)26-20-15(23)9-25-10-16(20)24/h3-10,12H,11H2,1-2H3,(H,25,26,27)
InChIKeyAICKNMILRJRBPL-UHFFFAOYSA-N
MW429.30 g/mol
LogP6.57
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide

N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide (PubChem CID 69282533) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide
PubChem CID69282533
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide
SMILESCC(C)COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1oc1ccccc12
InChIInChI=1S/C22H18Cl2N2O3/c1-12(2)11-28-18-8-7-14(19-13-5-3-4-6-17(13)29-21(18)19)22(27)26-20-15(23)9-25-10-16(20)24/h3-10,12H,11H2,1-2H3,(H,25,26,27)
InChIKeyAICKNMILRJRBPL-UHFFFAOYSA-N
XLogP6.57
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide (CID 69282533) is N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide is CC(C)COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1oc1ccccc12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide?
The InChIKey is AICKNMILRJRBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c1-12(2)11-28-18-8-7-14(19-13-5-3-4-6-17(13)29-21(18)19)22(27)26-20-15(23)9-25-10-16(20)24/h3-10,12H,11H2,1-2H3,(H,25,26,27).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide has a molecular weight of 429.30 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide is sourced from PubChem (CID 69282533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).