N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide

C17H14Cl2N2O3 — CID 15887291

IUPACN-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide
SMILESCCc1cc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c2o1
InChIInChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22)
InChIKeyVQTBBBGKBIKAAN-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.96
Rot. Bonds4

About N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide

N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide (PubChem CID 15887291) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide
PubChem CID15887291
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide
SMILESCCc1cc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c2o1
InChIInChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22)
InChIKeyVQTBBBGKBIKAAN-UHFFFAOYSA-N
XLogP4.96
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.96
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)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide (CID 15887291) is N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide is CCc1cc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c2o1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide?
The InChIKey is VQTBBBGKBIKAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide has a molecular weight of 365.22 g/mol, XLogP of 4.96, 4 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)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide is sourced from PubChem (CID 15887291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).