N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide

C24H16BrCl2NO4 — CID 3445856

IUPACN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)cc1Cl
InChIInChI=1S/C24H16BrCl2NO4/c1-2-31-22-17(26)11-14(12-18(22)27)24(30)28-20-16-5-3-4-6-19(16)32-23(20)21(29)13-7-9-15(25)10-8-13/h3-12H,2H2,1H3,(H,28,30)
InChIKeyUHBQIPGCFQQHOZ-UHFFFAOYSA-N
MW533.21 g/mol
LogP7.38
Rot. Bonds6

About N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide (PubChem CID 3445856) has the molecular formula C24H16BrCl2NO4 and a molecular weight of 533.21 g/mol. Its IUPAC name is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide
PubChem CID3445856
Molecular FormulaC24H16BrCl2NO4
Molecular Weight533.21 g/mol
Exact Mass530.96
IUPAC NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)cc1Cl
InChIInChI=1S/C24H16BrCl2NO4/c1-2-31-22-17(26)11-14(12-18(22)27)24(30)28-20-16-5-3-4-6-19(16)32-23(20)21(29)13-7-9-15(25)10-8-13/h3-12H,2H2,1H3,(H,28,30)
InChIKeyUHBQIPGCFQQHOZ-UHFFFAOYSA-N
XLogP7.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.21
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 18848193
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829831
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839
3,5-dichloro-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-heptoxybenzamide
CID 18848177
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092513
3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848189
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 19114904
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915
3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide
CID 18848207
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-chloro-3-nitrobenzamide
CID 3445710
4-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-nitrobenzamide
CID 18847930

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide?
The IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide (CID 3445856) is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide?
The canonical SMILES for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)cc1Cl.
What is the InChIKey of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide?
The InChIKey is UHBQIPGCFQQHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrCl2NO4/c1-2-31-22-17(26)11-14(12-18(22)27)24(30)28-20-16-5-3-4-6-19(16)32-23(20)21(29)13-7-9-15(25)10-8-13/h3-12H,2H2,1H3,(H,28,30).
What are the key properties of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide?
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide has a molecular weight of 533.21 g/mol, XLogP of 7.38, 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]-3,5-dichloro-4-ethoxybenzamide is sourced from PubChem (CID 3445856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).