3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide

C24H19NO5 — CID 1051477

IUPAC3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C24H19NO5/c1-28-17-12-10-15(11-13-17)22(26)23-21(19-8-3-4-9-20(19)30-23)25-24(27)16-6-5-7-18(14-16)29-2/h3-14H,1-2H3,(H,25,27)
InChIKeyQCNUNAPYQDOTQM-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.93
Rot. Bonds6

About 3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide

3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide (PubChem CID 1051477) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
PubChem CID1051477
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C24H19NO5/c1-28-17-12-10-15(11-13-17)22(26)23-21(19-8-3-4-9-20(19)30-23)25-24(27)16-6-5-7-18(14-16)29-2/h3-14H,1-2H3,(H,25,27)
InChIKeyQCNUNAPYQDOTQM-UHFFFAOYSA-N
XLogP4.93
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide (CID 1051477) is 3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of 3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is QCNUNAPYQDOTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-28-17-12-10-15(11-13-17)22(26)23-21(19-8-3-4-9-20(19)30-23)25-24(27)16-6-5-7-18(14-16)29-2/h3-14H,1-2H3,(H,25,27).
What are the key properties of 3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 401.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 1051477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).