N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide

C24H17BrClNO4 — CID 3445915

IUPACN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)ccc1Cl
InChIInChI=1S/C24H17BrClNO4/c1-14-12-17(10-11-19(14)26)30-13-21(28)27-22-18-4-2-3-5-20(18)31-24(22)23(29)15-6-8-16(25)9-7-15/h2-12H,13H2,1H3,(H,27,28)
InChIKeyVGEWLDDZBVIGSV-UHFFFAOYSA-N
MW498.76 g/mol
LogP6.41
Rot. Bonds6

About N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide (PubChem CID 3445915) has the molecular formula C24H17BrClNO4 and a molecular weight of 498.76 g/mol. Its IUPAC name is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
PubChem CID3445915
Molecular FormulaC24H17BrClNO4
Molecular Weight498.76 g/mol
Exact Mass497.00
IUPAC NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)ccc1Cl
InChIInChI=1S/C24H17BrClNO4/c1-14-12-17(10-11-19(14)26)30-13-21(28)27-22-18-4-2-3-5-20(18)31-24(22)23(29)15-6-8-16(25)9-7-15/h2-12H,13H2,1H3,(H,27,28)
InChIKeyVGEWLDDZBVIGSV-UHFFFAOYSA-N
XLogP6.41
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.76
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 19114863
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
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3450184
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide
CID 3445856
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 18848193
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
CID 3445771
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide
CID 18829862
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092513
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3-nitrophenoxy)acetamide
CID 3445964
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide?
The IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide (CID 3445915) is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)ccc1Cl.
What is the InChIKey of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide?
The InChIKey is VGEWLDDZBVIGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrClNO4/c1-14-12-17(10-11-19(14)26)30-13-21(28)27-22-18-4-2-3-5-20(18)31-24(22)23(29)15-6-8-16(25)9-7-15/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide?
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide has a molecular weight of 498.76 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide is sourced from PubChem (CID 3445915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).