3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide

C27H24ClNO5 — CID 18848018

IUPAC3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(OC)c(Cl)c3)oc3ccccc23)c1
InChIInChI=1S/C27H24ClNO5/c1-3-4-14-33-19-9-7-8-18(15-19)27(31)29-24-20-10-5-6-11-22(20)34-26(24)25(30)17-12-13-23(32-2)21(28)16-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,29,31)
InChIKeyAYWKOOOCEUHLLJ-UHFFFAOYSA-N
MW477.94 g/mol
LogP6.76
Rot. Bonds9

About 3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide

3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide (PubChem CID 18848018) has the molecular formula C27H24ClNO5 and a molecular weight of 477.94 g/mol. Its IUPAC name is 3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
PubChem CID18848018
Molecular FormulaC27H24ClNO5
Molecular Weight477.94 g/mol
Exact Mass477.13
IUPAC Name3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(OC)c(Cl)c3)oc3ccccc23)c1
InChIInChI=1S/C27H24ClNO5/c1-3-4-14-33-19-9-7-8-18(15-19)27(31)29-24-20-10-5-6-11-22(20)34-26(24)25(30)17-12-13-23(32-2)21(28)16-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,29,31)
InChIKeyAYWKOOOCEUHLLJ-UHFFFAOYSA-N
XLogP6.76
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.94
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide
CID 18848207
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 19114904
3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848189
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
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-nitrobenzamide
CID 1423526
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-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
CID 18848021
3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848100
[2-[[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883737
4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide (CID 18848018) is 3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide is CCCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(OC)c(Cl)c3)oc3ccccc23)c1.
What is the InChIKey of 3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is AYWKOOOCEUHLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO5/c1-3-4-14-33-19-9-7-8-18(15-19)27(31)29-24-20-10-5-6-11-22(20)34-26(24)25(30)17-12-13-23(32-2)21(28)16-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,29,31).
What are the key properties of 3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 477.94 g/mol, XLogP of 6.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 18848018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).