N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide

C28H26BrNO5 — CID 19114881

IUPACN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1Br
InChIInChI=1S/C28H26BrNO5/c1-16(2)18-9-12-20(13-10-18)34-17(3)28(32)30-25-21-7-5-6-8-23(21)35-27(25)26(31)19-11-14-24(33-4)22(29)15-19/h5-17H,1-4H3,(H,30,32)
InChIKeyUPLDFCZWQMQBQG-UHFFFAOYSA-N
MW536.42 g/mol
LogP6.96
Rot. Bonds8

About N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide

N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 19114881) has the molecular formula C28H26BrNO5 and a molecular weight of 536.42 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID19114881
Molecular FormulaC28H26BrNO5
Molecular Weight536.42 g/mol
Exact Mass535.10
IUPAC NameN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1Br
InChIInChI=1S/C28H26BrNO5/c1-16(2)18-9-12-20(13-10-18)34-17(3)28(32)30-25-21-7-5-6-8-23(21)35-27(25)26(31)19-11-14-24(33-4)22(29)15-19/h5-17H,1-4H3,(H,30,32)
InChIKeyUPLDFCZWQMQBQG-UHFFFAOYSA-N
XLogP6.96
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.42
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
CID 19114858
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848000
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445863
2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445869
2-[[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825684
(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
CID 18848009
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 139582504
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848079
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]thiophene-2-carboxamide
CID 19114824

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide (CID 19114881) is N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1Br.
What is the InChIKey of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is UPLDFCZWQMQBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26BrNO5/c1-16(2)18-9-12-20(13-10-18)34-17(3)28(32)30-25-21-7-5-6-8-23(21)35-27(25)26(31)19-11-14-24(33-4)22(29)15-19/h5-17H,1-4H3,(H,30,32).
What are the key properties of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 536.42 g/mol, XLogP of 6.96, 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-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 19114881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).