3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide

C20H21FN2O4 — CID 78886176

IUPAC3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2cc(C(N)=O)cc(F)c2C)cc1
InChIInChI=1S/C20H21FN2O4/c1-12-17(21)10-15(20(22)26)11-18(12)23-19(25)4-3-9-27-16-7-5-14(6-8-16)13(2)24/h5-8,10-11H,3-4,9H2,1-2H3,(H2,22,26)(H,23,25)
InChIKeyOUEGOFRXZAUHGZ-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.23
Rot. Bonds8

About 3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide

3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide (PubChem CID 78886176) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
PubChem CID78886176
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2cc(C(N)=O)cc(F)c2C)cc1
InChIInChI=1S/C20H21FN2O4/c1-12-17(21)10-15(20(22)26)11-18(12)23-19(25)4-3-9-27-16-7-5-14(6-8-16)13(2)24/h5-8,10-11H,3-4,9H2,1-2H3,(H2,22,26)(H,23,25)
InChIKeyOUEGOFRXZAUHGZ-UHFFFAOYSA-N
XLogP3.23
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244
5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 60940811
3-(7-aminoheptanoylamino)-5-fluoro-4-methylbenzamide
CID 43713943
3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 55784723
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 2666396
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
4-(4-acetylphenoxy)-N-(6-amino-1,3-benzodioxol-5-yl)butanamide
CID 119618095
4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide
CID 7941418
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide
CID 27364869

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide (CID 78886176) is 3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide is CC(=O)c1ccc(OCCCC(=O)Nc2cc(C(N)=O)cc(F)c2C)cc1.
What is the InChIKey of 3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is OUEGOFRXZAUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-12-17(21)10-15(20(22)26)11-18(12)23-19(25)4-3-9-27-16-7-5-14(6-8-16)13(2)24/h5-8,10-11H,3-4,9H2,1-2H3,(H2,22,26)(H,23,25).
What are the key properties of 3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide?
3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 372.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 78886176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).