N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide

C25H19F2NO4 — CID 18848079

IUPACN-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2ccc(F)cc2)cc1F
InChIInChI=1S/C25H19F2NO4/c1-14-7-8-16(13-20(14)27)23(29)24-22(19-5-3-4-6-21(19)32-24)28-25(30)15(2)31-18-11-9-17(26)10-12-18/h3-13,15H,1-2H3,(H,28,30)
InChIKeyWGLPADWWTWDRJM-UHFFFAOYSA-N
MW435.43 g/mol
LogP5.66
Rot. Bonds6

About N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide

N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide (PubChem CID 18848079) has the molecular formula C25H19F2NO4 and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
PubChem CID18848079
Molecular FormulaC25H19F2NO4
Molecular Weight435.43 g/mol
Exact Mass435.13
IUPAC NameN-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2ccc(F)cc2)cc1F
InChIInChI=1S/C25H19F2NO4/c1-14-7-8-16(13-20(14)27)23(29)24-22(19-5-3-4-6-21(19)32-24)28-25(30)15(2)31-18-11-9-17(26)10-12-18/h3-13,15H,1-2H3,(H,28,30)
InChIKeyWGLPADWWTWDRJM-UHFFFAOYSA-N
XLogP5.66
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.43
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848000
(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827099
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445863
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445869
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide
CID 4550795
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19114881
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137494
2-[[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825664
3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848100
2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18208718

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide (CID 18848079) is N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide is Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2ccc(F)cc2)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is WGLPADWWTWDRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2NO4/c1-14-7-8-16(13-20(14)27)23(29)24-22(19-5-3-4-6-21(19)32-24)28-25(30)15(2)31-18-11-9-17(26)10-12-18/h3-13,15H,1-2H3,(H,28,30).
What are the key properties of N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide?
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 435.43 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 18848079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).