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

C22H13Cl2NO3 — CID 132602656

IUPAC4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide
SMILESO=C(Nc1oc2ccccc2c1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H13Cl2NO3/c23-15-9-5-13(6-10-15)20(26)19-17-3-1-2-4-18(17)28-22(19)25-21(27)14-7-11-16(24)12-8-14/h1-12H,(H,25,27)
InChIKeyTYSPWRJKTJFEPL-UHFFFAOYSA-N
MW410.26 g/mol
LogP6.22
Rot. Bonds4

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

4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide (PubChem CID 132602656) has the molecular formula C22H13Cl2NO3 and a molecular weight of 410.26 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide
PubChem CID132602656
Molecular FormulaC22H13Cl2NO3
Molecular Weight410.26 g/mol
Exact Mass409.03
IUPAC Name4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide
SMILESO=C(Nc1oc2ccccc2c1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H13Cl2NO3/c23-15-9-5-13(6-10-15)20(26)19-17-3-1-2-4-18(17)28-22(19)25-21(27)14-7-11-16(24)12-8-14/h1-12H,(H,25,27)
InChIKeyTYSPWRJKTJFEPL-UHFFFAOYSA-N
XLogP6.22
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768
4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide
CID 2138486
[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-(4-chlorophenyl)acetamide
CID 19114627
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone
CID 21435284
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
N-[3-(3-chlorophenyl)-4-oxochromen-2-yl]benzamide
CID 4910374
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839
[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone
CID 21435341

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide (CID 132602656) is 4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide is O=C(Nc1oc2ccccc2c1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide?
The InChIKey is TYSPWRJKTJFEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2NO3/c23-15-9-5-13(6-10-15)20(26)19-17-3-1-2-4-18(17)28-22(19)25-21(27)14-7-11-16(24)12-8-14/h1-12H,(H,25,27).
What are the key properties of 4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide?
4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide has a molecular weight of 410.26 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide is sourced from PubChem (CID 132602656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).