4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide

C19H19F2NO4 — CID 7941418

IUPAC4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C19H19F2NO4/c1-13(23)14-8-10-15(11-9-14)25-12-4-7-18(24)22-16-5-2-3-6-17(16)26-19(20)21/h2-3,5-6,8-11,19H,4,7,12H2,1H3,(H,22,24)
InChIKeyKWLAJJUMRYGXDM-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.29
Rot. Bonds9

About 4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide

4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide (PubChem CID 7941418) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide
PubChem CID7941418
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C19H19F2NO4/c1-13(23)14-8-10-15(11-9-14)25-12-4-7-18(24)22-16-5-2-3-6-17(16)26-19(20)21/h2-3,5-6,8-11,19H,4,7,12H2,1H3,(H,22,24)
InChIKeyKWLAJJUMRYGXDM-UHFFFAOYSA-N
XLogP4.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(4-methylphenoxy)butanoate
CID 7147730
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840498
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 2666396
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855020
1-(4-acetylphenyl)-3-[2-(difluoromethoxy)phenyl]thiourea
CID 17284899
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 112762986
4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide
CID 38169110
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902950

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide (CID 7941418) is 4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2OC(F)F)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide?
The InChIKey is KWLAJJUMRYGXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-13(23)14-8-10-15(11-9-14)25-12-4-7-18(24)22-16-5-2-3-6-17(16)26-19(20)21/h2-3,5-6,8-11,19H,4,7,12H2,1H3,(H,22,24).
What are the key properties of 4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide?
4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide has a molecular weight of 363.36 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 7941418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).