4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide

C20H22FNO3 — CID 112817531

IUPAC4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide
SMILESCCN(C(=O)CCCOc1ccc(C(C)=O)cc1)c1cccc(F)c1
InChIInChI=1S/C20H22FNO3/c1-3-22(18-7-4-6-17(21)14-18)20(24)8-5-13-25-19-11-9-16(10-12-19)15(2)23/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3
InChIKeyDEXOGQONDXUCBX-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.24
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide

4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide (PubChem CID 112817531) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide
PubChem CID112817531
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide
SMILESCCN(C(=O)CCCOc1ccc(C(C)=O)cc1)c1cccc(F)c1
InChIInChI=1S/C20H22FNO3/c1-3-22(18-7-4-6-17(21)14-18)20(24)8-5-13-25-19-11-9-16(10-12-19)15(2)23/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3
InChIKeyDEXOGQONDXUCBX-UHFFFAOYSA-N
XLogP4.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide
CID 78853768
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159
N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 78847364
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone
CID 23520521
N-ethyl-5-(4-methoxyphenyl)-N-(3-methylphenyl)-5-oxopentanamide
CID 110298284
2-[4-(4-acetylphenoxy)butanoyl-methylamino]acetic acid
CID 119171961
1-(4-acetylphenoxy)heptan-4-one
CID 155105083
N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide
CID 17320931
4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 78781704
4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 78892329
N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide
CID 78883434

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide (CID 112817531) is 4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide is CCN(C(=O)CCCOc1ccc(C(C)=O)cc1)c1cccc(F)c1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide?
The InChIKey is DEXOGQONDXUCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-3-22(18-7-4-6-17(21)14-18)20(24)8-5-13-25-19-11-9-16(10-12-19)15(2)23/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3.
What are the key properties of 4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide?
4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide has a molecular weight of 343.40 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide is sourced from PubChem (CID 112817531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).