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

C24H17BrClNO4 — CID 139582504

IUPACN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C24H17BrClNO4/c1-30-20-11-8-15(13-18(20)25)23(29)24-22(17-4-2-3-5-19(17)31-24)27-21(28)12-14-6-9-16(26)10-7-14/h2-11,13H,12H2,1H3,(H,27,28)
InChIKeyDFABFRWWGOVEEJ-UHFFFAOYSA-N
MW498.76 g/mol
LogP6.27
Rot. Bonds6

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

N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide (PubChem CID 139582504) has the molecular formula C24H17BrClNO4 and a molecular weight of 498.76 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
PubChem CID139582504
Molecular FormulaC24H17BrClNO4
Molecular Weight498.76 g/mol
Exact Mass497.00
IUPAC NameN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C24H17BrClNO4/c1-30-20-11-8-15(13-18(20)25)23(29)24-22(17-4-2-3-5-19(17)31-24)27-21(28)12-14-6-9-16(26)10-7-14/h2-11,13H,12H2,1H3,(H,27,28)
InChIKeyDFABFRWWGOVEEJ-UHFFFAOYSA-N
XLogP6.27
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 ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
CID 19114877
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 19114863
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 19114904
(3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone
CID 110827348
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 19114824
(E)-N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 19114821
2-[[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825684
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19114881
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 3445970
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860891
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide (CID 139582504) is N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide?
The InChIKey is DFABFRWWGOVEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrClNO4/c1-30-20-11-8-15(13-18(20)25)23(29)24-22(17-4-2-3-5-19(17)31-24)27-21(28)12-14-6-9-16(26)10-7-14/h2-11,13H,12H2,1H3,(H,27,28).
What are the key properties of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide?
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide has a molecular weight of 498.76 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 139582504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).