N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide

C27H20ClNO6 — CID 18860891

IUPACN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2occ(CC(=O)Nc3c(C(=O)c4ccc(OC)c(Cl)c4)oc4ccccc34)c2c1
InChIInChI=1S/C27H20ClNO6/c1-32-17-8-10-21-19(13-17)16(14-34-21)12-24(30)29-25-18-5-3-4-6-22(18)35-27(25)26(31)15-7-9-23(33-2)20(28)11-15/h3-11,13-14H,12H2,1-2H3,(H,29,30)
InChIKeyPEIAUBXGINUXRG-UHFFFAOYSA-N
MW489.91 g/mol
LogP6.26
Rot. Bonds7

About N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide

N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 18860891) has the molecular formula C27H20ClNO6 and a molecular weight of 489.91 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID18860891
Molecular FormulaC27H20ClNO6
Molecular Weight489.91 g/mol
Exact Mass489.10
IUPAC NameN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2occ(CC(=O)Nc3c(C(=O)c4ccc(OC)c(Cl)c4)oc4ccccc34)c2c1
InChIInChI=1S/C27H20ClNO6/c1-32-17-8-10-21-19(13-17)16(14-34-21)12-24(30)29-25-18-5-3-4-6-22(18)35-27(25)26(31)15-7-9-23(33-2)20(28)11-15/h3-11,13-14H,12H2,1-2H3,(H,29,30)
InChIKeyPEIAUBXGINUXRG-UHFFFAOYSA-N
XLogP6.26
TPSA90.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.91
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860701
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 18860958
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861000
(3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone
CID 110826567
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
CID 18848021
3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848018
N-(2-benzoyl-1-benzofuran-3-yl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860659
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861282
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 139582504
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848000
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-nitrobenzamide
CID 1423526
[2-[[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883737

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide (CID 18860891) is N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2occ(CC(=O)Nc3c(C(=O)c4ccc(OC)c(Cl)c4)oc4ccccc34)c2c1.
What is the InChIKey of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is PEIAUBXGINUXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClNO6/c1-32-17-8-10-21-19(13-17)16(14-34-21)12-24(30)29-25-18-5-3-4-6-22(18)35-27(25)26(31)15-7-9-23(33-2)20(28)11-15/h3-11,13-14H,12H2,1-2H3,(H,29,30).
What are the key properties of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 489.91 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18860891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).