4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide

C24H18ClNO5 — CID 2138485

IUPAC4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H18ClNO5/c1-29-19-12-9-15(13-20(19)30-2)22(27)23-21(17-5-3-4-6-18(17)31-23)26-24(28)14-7-10-16(25)11-8-14/h3-13H,1-2H3,(H,26,28)
InChIKeyVBEDAKPVXRKHRW-UHFFFAOYSA-N
MW435.86 g/mol
LogP5.59
Rot. Bonds6

About 4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide

4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide (PubChem CID 2138485) has the molecular formula C24H18ClNO5 and a molecular weight of 435.86 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide
PubChem CID2138485
Molecular FormulaC24H18ClNO5
Molecular Weight435.86 g/mol
Exact Mass435.09
IUPAC Name4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H18ClNO5/c1-29-19-12-9-15(13-20(19)30-2)22(27)23-21(17-5-3-4-6-18(17)31-23)26-24(28)14-7-10-16(25)11-8-14/h3-13H,1-2H3,(H,26,28)
InChIKeyVBEDAKPVXRKHRW-UHFFFAOYSA-N
XLogP5.59
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.86
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide (CID 2138485) is 4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is VBEDAKPVXRKHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO5/c1-29-19-12-9-15(13-20(19)30-2)22(27)23-21(17-5-3-4-6-18(17)31-23)26-24(28)14-7-10-16(25)11-8-14/h3-13H,1-2H3,(H,26,28).
What are the key properties of 4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 435.86 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3,4-dimethoxybenzoyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 2138485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).