3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide

C30H29Cl2NO5 — CID 18848189

IUPAC3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCCCCCCOc1c(Cl)cc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)cc1Cl
InChIInChI=1S/C30H29Cl2NO5/c1-3-4-5-6-9-16-37-28-23(31)17-20(18-24(28)32)30(35)33-26-22-10-7-8-11-25(22)38-29(26)27(34)19-12-14-21(36-2)15-13-19/h7-8,10-15,17-18H,3-6,9,16H2,1-2H3,(H,33,35)
InChIKeyOQJHNUGXWFBPEM-UHFFFAOYSA-N
MW554.47 g/mol
LogP8.58
Rot. Bonds12

About 3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide

3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide (PubChem CID 18848189) has the molecular formula C30H29Cl2NO5 and a molecular weight of 554.47 g/mol. Its IUPAC name is 3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
PubChem CID18848189
Molecular FormulaC30H29Cl2NO5
Molecular Weight554.47 g/mol
Exact Mass553.14
IUPAC Name3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCCCCCCOc1c(Cl)cc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)cc1Cl
InChIInChI=1S/C30H29Cl2NO5/c1-3-4-5-6-9-16-37-28-23(31)17-20(18-24(28)32)30(35)33-26-22-10-7-8-11-25(22)38-29(26)27(34)19-12-14-21(36-2)15-13-19/h7-8,10-15,17-18H,3-6,9,16H2,1-2H3,(H,33,35)
InChIKeyOQJHNUGXWFBPEM-UHFFFAOYSA-N
XLogP8.58
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.47
LogP ≤ 58.58
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
3,5-dichloro-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-heptoxybenzamide
CID 18848177
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 18848193
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 19114904
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848018
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide
CID 3445856
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
CID 18848436
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide
CID 18848493
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829831

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide (CID 18848189) is 3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide is CCCCCCCOc1c(Cl)cc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is OQJHNUGXWFBPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2NO5/c1-3-4-5-6-9-16-37-28-23(31)17-20(18-24(28)32)30(35)33-26-22-10-7-8-11-25(22)38-29(26)27(34)19-12-14-21(36-2)15-13-19/h7-8,10-15,17-18H,3-6,9,16H2,1-2H3,(H,33,35).
What are the key properties of 3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 554.47 g/mol, XLogP of 8.58, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 18848189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).