4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide

C21H15ClN2O3 — CID 46230824

IUPAC4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3ccncc3)oc12
InChIInChI=1S/C21H15ClN2O3/c1-26-18-7-6-16(13-2-4-14(22)5-3-13)17-12-19(27-20(17)18)21(25)24-15-8-10-23-11-9-15/h2-12H,1H3,(H,23,24,25)
InChIKeyNNTAIVORJVJFSE-UHFFFAOYSA-N
MW378.82 g/mol
LogP5.41
Rot. Bonds4

About 4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide

4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide (PubChem CID 46230824) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide
PubChem CID46230824
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC Name4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3ccncc3)oc12
InChIInChI=1S/C21H15ClN2O3/c1-26-18-7-6-16(13-2-4-14(22)5-3-13)17-12-19(27-20(17)18)21(25)24-15-8-10-23-11-9-15/h2-12H,1H3,(H,23,24,25)
InChIKeyNNTAIVORJVJFSE-UHFFFAOYSA-N
XLogP5.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide (CID 46230824) is 4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide is COc1ccc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3ccncc3)oc12.
What is the InChIKey of 4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The InChIKey is NNTAIVORJVJFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c1-26-18-7-6-16(13-2-4-14(22)5-3-13)17-12-19(27-20(17)18)21(25)24-15-8-10-23-11-9-15/h2-12H,1H3,(H,23,24,25).
What are the key properties of 4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-7-methoxy-N-pyridin-4-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46230824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).