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

C26H22BrNO5 — CID 19114877

IUPACN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(OC)c(Br)c3)oc3ccccc23)cc1
InChIInChI=1S/C26H22BrNO5/c1-3-16-8-11-18(12-9-16)32-15-23(29)28-24-19-6-4-5-7-21(19)33-26(24)25(30)17-10-13-22(31-2)20(27)14-17/h4-14H,3,15H2,1-2H3,(H,28,29)
InChIKeyUSQFUJXJWTUFRO-UHFFFAOYSA-N
MW508.37 g/mol
LogP6.01
Rot. Bonds8

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

N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide (PubChem CID 19114877) has the molecular formula C26H22BrNO5 and a molecular weight of 508.37 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
PubChem CID19114877
Molecular FormulaC26H22BrNO5
Molecular Weight508.37 g/mol
Exact Mass507.07
IUPAC NameN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(OC)c(Br)c3)oc3ccccc23)cc1
InChIInChI=1S/C26H22BrNO5/c1-3-16-8-11-18(12-9-16)32-15-23(29)28-24-19-6-4-5-7-21(19)33-26(24)25(30)17-10-13-22(31-2)20(27)14-17/h4-14H,3,15H2,1-2H3,(H,28,29)
InChIKeyUSQFUJXJWTUFRO-UHFFFAOYSA-N
XLogP6.01
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.37
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 19114863
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 139582504
N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
CID 23473308
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]-4-butoxy-3,5-dichlorobenzamide
CID 19114904
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide
CID 18829862
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 19114824
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19114881
(E)-N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 19114821
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide
CID 1418905
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide (CID 19114877) is N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(OC)c(Br)c3)oc3ccccc23)cc1.
What is the InChIKey of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is USQFUJXJWTUFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrNO5/c1-3-16-8-11-18(12-9-16)32-15-23(29)28-24-19-6-4-5-7-21(19)33-26(24)25(30)17-10-13-22(31-2)20(27)14-17/h4-14H,3,15H2,1-2H3,(H,28,29).
What are the key properties of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide?
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 508.37 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 19114877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).