3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide

C25H20FNO4 — CID 18848100

IUPAC3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(C)c(F)c3)oc3ccccc23)c1
InChIInChI=1S/C25H20FNO4/c1-3-30-18-8-6-7-17(13-18)25(29)27-22-19-9-4-5-10-21(19)31-24(22)23(28)16-12-11-15(2)20(26)14-16/h4-14H,3H2,1-2H3,(H,27,29)
InChIKeyUAEJWDLUTANMHB-UHFFFAOYSA-N
MW417.44 g/mol
LogP5.76
Rot. Bonds6

About 3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide

3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide (PubChem CID 18848100) has the molecular formula C25H20FNO4 and a molecular weight of 417.44 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide
PubChem CID18848100
Molecular FormulaC25H20FNO4
Molecular Weight417.44 g/mol
Exact Mass417.14
IUPAC Name3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(C)c(F)c3)oc3ccccc23)c1
InChIInChI=1S/C25H20FNO4/c1-3-30-18-8-6-7-17(13-18)25(29)27-22-19-9-4-5-10-21(19)31-24(22)23(28)16-12-11-15(2)20(26)14-16/h4-14H,3H2,1-2H3,(H,27,29)
InChIKeyUAEJWDLUTANMHB-UHFFFAOYSA-N
XLogP5.76
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.44
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898
3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848018
(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827099
2-[[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825664
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848079
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide
CID 4072165
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829831
2-[(2-benzoyl-1-benzofuran-3-yl)amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830459
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135785513
3,6-dichloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-1-benzothiophene-2-carboxamide
CID 18848145

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide (CID 18848100) is 3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide is CCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(C)c(F)c3)oc3ccccc23)c1.
What is the InChIKey of 3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is UAEJWDLUTANMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO4/c1-3-30-18-8-6-7-17(13-18)25(29)27-22-19-9-4-5-10-21(19)31-24(22)23(28)16-12-11-15(2)20(26)14-16/h4-14H,3H2,1-2H3,(H,27,29).
What are the key properties of 3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide?
3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 417.44 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 18848100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).