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

C23H15Cl2NO4 — CID 3445771

IUPACN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C23H15Cl2NO4/c24-15-11-9-14(10-12-15)22(28)23-21(16-5-1-3-7-18(16)30-23)26-20(27)13-29-19-8-4-2-6-17(19)25/h1-12H,13H2,(H,26,27)
InChIKeyDUFMUILLKSOOAV-UHFFFAOYSA-N
MW440.28 g/mol
LogP5.99
Rot. Bonds6

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

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide (PubChem CID 3445771) has the molecular formula C23H15Cl2NO4 and a molecular weight of 440.28 g/mol. Its IUPAC name is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
PubChem CID3445771
Molecular FormulaC23H15Cl2NO4
Molecular Weight440.28 g/mol
Exact Mass439.04
IUPAC NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C23H15Cl2NO4/c24-15-11-9-14(10-12-15)22(28)23-21(16-5-1-3-7-18(16)30-23)26-20(27)13-29-19-8-4-2-6-17(19)25/h1-12H,13H2,(H,26,27)
InChIKeyDUFMUILLKSOOAV-UHFFFAOYSA-N
XLogP5.99
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.28
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 3445970
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-chlorophenyl)acetamide
CID 19114627
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3-nitrophenoxy)acetamide
CID 3445964
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide
CID 18829862
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915
[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883704
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3450184

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide (CID 3445771) is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is DUFMUILLKSOOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO4/c24-15-11-9-14(10-12-15)22(28)23-21(16-5-1-3-7-18(16)30-23)26-20(27)13-29-19-8-4-2-6-17(19)25/h1-12H,13H2,(H,26,27).
What are the key properties of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide?
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 440.28 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 3445771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).