N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide

C23H15Cl2NO3 — CID 19114627

IUPACN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C23H15Cl2NO3/c24-16-9-5-14(6-10-16)13-20(27)26-21-18-3-1-2-4-19(18)29-23(21)22(28)15-7-11-17(25)12-8-15/h1-12H,13H2,(H,26,27)
InChIKeyCBTVKLWUDAATTH-UHFFFAOYSA-N
MW424.28 g/mol
LogP6.15
Rot. Bonds5

About N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide (PubChem CID 19114627) has the molecular formula C23H15Cl2NO3 and a molecular weight of 424.28 g/mol. Its IUPAC name is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
PubChem CID19114627
Molecular FormulaC23H15Cl2NO3
Molecular Weight424.28 g/mol
Exact Mass423.04
IUPAC NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C23H15Cl2NO3/c24-16-9-5-14(6-10-16)13-20(27)26-21-18-3-1-2-4-19(18)29-23(21)22(28)15-7-11-17(25)12-8-15/h1-12H,13H2,(H,26,27)
InChIKeyCBTVKLWUDAATTH-UHFFFAOYSA-N
XLogP6.15
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.28
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 139582504
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 18860958
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
CID 3445771
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 3445970
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide
CID 139582398
[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883704

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide (CID 19114627) is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide?
The InChIKey is CBTVKLWUDAATTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO3/c24-16-9-5-14(6-10-16)13-20(27)26-21-18-3-1-2-4-19(18)29-23(21)22(28)15-7-11-17(25)12-8-15/h1-12H,13H2,(H,26,27).
What are the key properties of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide?
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide has a molecular weight of 424.28 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 19114627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).