N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide

C23H16FNO3 — CID 4072165

IUPACN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1
InChIInChI=1S/C23H16FNO3/c1-14-5-4-6-16(13-14)23(27)25-20-18-7-2-3-8-19(18)28-22(20)21(26)15-9-11-17(24)12-10-15/h2-13H,1H3,(H,25,27)
InChIKeyZTHKVMSGOXPVTF-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.36
Rot. Bonds4

About N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide

N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide (PubChem CID 4072165) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide
PubChem CID4072165
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC NameN-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1
InChIInChI=1S/C23H16FNO3/c1-14-5-4-6-16(13-14)23(27)25-20-18-7-2-3-8-19(18)28-22(20)21(26)15-9-11-17(24)12-10-15/h2-13H,1H3,(H,25,27)
InChIKeyZTHKVMSGOXPVTF-UHFFFAOYSA-N
XLogP5.36
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 3445612
N-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-benzofuran-3-yl]-4-fluorobenzamide
CID 23473376
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848100
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-3-carboxamide
CID 52904616
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
3,5-dichloro-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-heptoxybenzamide
CID 18848177
2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 110828689
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 4065338

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide?
The IUPAC name of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide (CID 4072165) is N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1.
What is the InChIKey of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide?
The InChIKey is ZTHKVMSGOXPVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO3/c1-14-5-4-6-16(13-14)23(27)25-20-18-7-2-3-8-19(18)28-22(20)21(26)15-9-11-17(24)12-10-15/h2-13H,1H3,(H,25,27).
What are the key properties of N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide?
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide has a molecular weight of 373.38 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide is sourced from PubChem (CID 4072165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).