N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide

C26H20BrCl2NO4 — CID 18848193

IUPACN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)cc1Cl
InChIInChI=1S/C26H20BrCl2NO4/c1-2-3-12-33-24-19(28)13-16(14-20(24)29)26(32)30-22-18-6-4-5-7-21(18)34-25(22)23(31)15-8-10-17(27)11-9-15/h4-11,13-14H,2-3,12H2,1H3,(H,30,32)
InChIKeyVUPCNYJOSTVBJL-UHFFFAOYSA-N
MW561.26 g/mol
LogP8.16
Rot. Bonds8

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

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide (PubChem CID 18848193) has the molecular formula C26H20BrCl2NO4 and a molecular weight of 561.26 g/mol. Its IUPAC name is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
PubChem CID18848193
Molecular FormulaC26H20BrCl2NO4
Molecular Weight561.26 g/mol
Exact Mass559.00
IUPAC NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)cc1Cl
InChIInChI=1S/C26H20BrCl2NO4/c1-2-3-12-33-24-19(28)13-16(14-20(24)29)26(32)30-22-18-6-4-5-7-21(18)34-25(22)23(31)15-8-10-17(27)11-9-15/h4-11,13-14H,2-3,12H2,1H3,(H,30,32)
InChIKeyVUPCNYJOSTVBJL-UHFFFAOYSA-N
XLogP8.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.26
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide
CID 3445856
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
3,5-dichloro-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-heptoxybenzamide
CID 18848177
3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide
CID 18848207
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289356
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092513
3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848018
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829831
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-chloro-3-nitrobenzamide
CID 3445710

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide?
The IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide (CID 18848193) is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide.
What is the SMILES notation for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide?
The canonical SMILES for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide is CCCCOc1c(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]-4-butoxy-3,5-dichlorobenzamide?
The InChIKey is VUPCNYJOSTVBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrCl2NO4/c1-2-3-12-33-24-19(28)13-16(14-20(24)29)26(32)30-22-18-6-4-5-7-21(18)34-25(22)23(31)15-8-10-17(27)11-9-15/h4-11,13-14H,2-3,12H2,1H3,(H,30,32).
What are the key properties of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide?
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide has a molecular weight of 561.26 g/mol, XLogP of 8.16, 8 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-butoxy-3,5-dichlorobenzamide is sourced from PubChem (CID 18848193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).