N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide

C26H22BrNO4 — CID 4092513

IUPACN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)cc1
InChIInChI=1S/C26H22BrNO4/c1-16(2)15-31-20-13-9-18(10-14-20)26(30)28-23-21-5-3-4-6-22(21)32-25(23)24(29)17-7-11-19(27)12-8-17/h3-14,16H,15H2,1-2H3,(H,28,30)
InChIKeyOCZRXUFQYOEZKF-UHFFFAOYSA-N
MW492.37 g/mol
LogP6.71
Rot. Bonds7

About N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide (PubChem CID 4092513) has the molecular formula C26H22BrNO4 and a molecular weight of 492.37 g/mol. Its IUPAC name is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
PubChem CID4092513
Molecular FormulaC26H22BrNO4
Molecular Weight492.37 g/mol
Exact Mass491.07
IUPAC NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)cc1
InChIInChI=1S/C26H22BrNO4/c1-16(2)15-31-20-13-9-18(10-14-20)26(30)28-23-21-5-3-4-6-22(21)32-25(23)24(29)17-7-11-19(27)12-8-17/h3-14,16H,15H2,1-2H3,(H,28,30)
InChIKeyOCZRXUFQYOEZKF-UHFFFAOYSA-N
XLogP6.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.37
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092512
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
2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18847905
3-[(4-bromobenzoyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 16814422
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289356
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide
CID 4281017
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3450184
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide (CID 4092513) is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide?
The InChIKey is OCZRXUFQYOEZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrNO4/c1-16(2)15-31-20-13-9-18(10-14-20)26(30)28-23-21-5-3-4-6-22(21)32-25(23)24(29)17-7-11-19(27)12-8-17/h3-14,16H,15H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide?
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide has a molecular weight of 492.37 g/mol, XLogP of 6.71, 7 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]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4092513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).