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

C24H17Cl2NO4 — CID 18829839

IUPAC4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C24H17Cl2NO4/c1-2-30-20-12-9-15(13-18(20)26)22(28)23-21(17-5-3-4-6-19(17)31-23)27-24(29)14-7-10-16(25)11-8-14/h3-13H,2H2,1H3,(H,27,29)
InChIKeyUWXNYKVPTJGNGE-UHFFFAOYSA-N
MW454.31 g/mol
LogP6.62
Rot. Bonds6

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

4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide (PubChem CID 18829839) has the molecular formula C24H17Cl2NO4 and a molecular weight of 454.31 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
PubChem CID18829839
Molecular FormulaC24H17Cl2NO4
Molecular Weight454.31 g/mol
Exact Mass453.05
IUPAC Name4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C24H17Cl2NO4/c1-2-30-20-12-9-15(13-18(20)26)22(28)23-21(17-5-3-4-6-19(17)31-23)27-24(29)14-7-10-16(25)11-8-14/h3-13H,2H2,1H3,(H,27,29)
InChIKeyUWXNYKVPTJGNGE-UHFFFAOYSA-N
XLogP6.62
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829831
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide
CID 3445856
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide
CID 18829862
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide
CID 18848207
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-nitrobenzamide
CID 1423526
3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848018
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
CID 18848021
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 35339570
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
CID 3445771
3,6-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-1-benzothiophene-2-carboxamide
CID 18848131
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 19114904

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide (CID 18829839) is 4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide is CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is UWXNYKVPTJGNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO4/c1-2-30-20-12-9-15(13-18(20)26)22(28)23-21(17-5-3-4-6-19(17)31-23)27-24(29)14-7-10-16(25)11-8-14/h3-13H,2H2,1H3,(H,27,29).
What are the key properties of 4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 454.31 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 18829839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).