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

C24H18ClNO4 — CID 18829831

IUPACN-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C24H18ClNO4/c1-2-29-20-13-12-16(14-18(20)25)22(27)23-21(17-10-6-7-11-19(17)30-23)26-24(28)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,26,28)
InChIKeyKUUQZHYNUFTOMD-UHFFFAOYSA-N
MW419.86 g/mol
LogP5.97
Rot. Bonds6

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

N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide (PubChem CID 18829831) has the molecular formula C24H18ClNO4 and a molecular weight of 419.86 g/mol. Its IUPAC name is N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
PubChem CID18829831
Molecular FormulaC24H18ClNO4
Molecular Weight419.86 g/mol
Exact Mass419.09
IUPAC NameN-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C24H18ClNO4/c1-2-29-20-13-12-16(14-18(20)25)22(27)23-21(17-10-6-7-11-19(17)30-23)26-24(28)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,26,28)
InChIKeyKUUQZHYNUFTOMD-UHFFFAOYSA-N
XLogP5.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.86
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839
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-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848018
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
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 19114904
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
CID 18848021
[2-[[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883737
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 18848193
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-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide (CID 18829831) is N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide is CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is KUUQZHYNUFTOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO4/c1-2-29-20-13-12-16(14-18(20)25)22(27)23-21(17-10-6-7-11-19(17)30-23)26-24(28)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,26,28).
What are the key properties of N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide?
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 419.86 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 18829831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).