3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide

C25H19Cl2NO5 — CID 18848197

IUPAC3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1
InChIInChI=1S/C25H19Cl2NO5/c1-3-32-16-10-8-14(9-11-16)22(29)24-21(17-6-4-5-7-20(17)33-24)28-25(30)15-12-18(26)23(31-2)19(27)13-15/h4-13H,3H2,1-2H3,(H,28,30)
InChIKeyUNLVELSKYNYYTJ-UHFFFAOYSA-N
MW484.34 g/mol
LogP6.63
Rot. Bonds7

About 3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide

3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide (PubChem CID 18848197) has the molecular formula C25H19Cl2NO5 and a molecular weight of 484.34 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
PubChem CID18848197
Molecular FormulaC25H19Cl2NO5
Molecular Weight484.34 g/mol
Exact Mass483.06
IUPAC Name3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1
InChIInChI=1S/C25H19Cl2NO5/c1-3-32-16-10-8-14(9-11-16)22(29)24-21(17-6-4-5-7-20(17)33-24)28-25(30)15-12-18(26)23(31-2)19(27)13-15/h4-13H,3H2,1-2H3,(H,28,30)
InChIKeyUNLVELSKYNYYTJ-UHFFFAOYSA-N
XLogP6.63
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.34
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide
CID 3445856
3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848189
4-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-nitrobenzamide
CID 18847930
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 18848193
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829831
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839
2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18847905
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 19114904
3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide
CID 18848207
3,5-dichloro-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-heptoxybenzamide
CID 18848177
3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848018

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide (CID 18848197) is 3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide is CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide?
The InChIKey is UNLVELSKYNYYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO5/c1-3-32-16-10-8-14(9-11-16)22(29)24-21(17-6-4-5-7-20(17)33-24)28-25(30)15-12-18(26)23(31-2)19(27)13-15/h4-13H,3H2,1-2H3,(H,28,30).
What are the key properties of 3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide?
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide has a molecular weight of 484.34 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 18848197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).