4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide

C20H21F2NO3 — CID 78778582

IUPAC4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NC(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H21F2NO3/c1-13(16-7-10-18(21)19(22)12-16)23-20(25)4-3-11-26-17-8-5-15(6-9-17)14(2)24/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyXGOCUJVKGHGRKR-UHFFFAOYSA-N
MW361.39 g/mol
LogP4.20
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide

4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide (PubChem CID 78778582) has the molecular formula C20H21F2NO3 and a molecular weight of 361.39 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide
PubChem CID78778582
Molecular FormulaC20H21F2NO3
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NC(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H21F2NO3/c1-13(16-7-10-18(21)19(22)12-16)23-20(25)4-3-11-26-17-8-5-15(6-9-17)14(2)24/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyXGOCUJVKGHGRKR-UHFFFAOYSA-N
XLogP4.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
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-[1-(4-ethylphenyl)ethyl]butanamide
CID 112762237
4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 134035078
4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 34762946
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132652702
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
2-(4-acetylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200831
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 60850443
3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 51947174
2-[4-(4-acetylphenoxy)butanoylamino]butanoic acid
CID 119223471
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide (CID 78778582) is 4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide is CC(=O)c1ccc(OCCCC(=O)NC(C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide?
The InChIKey is XGOCUJVKGHGRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3/c1-13(16-7-10-18(21)19(22)12-16)23-20(25)4-3-11-26-17-8-5-15(6-9-17)14(2)24/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25).
What are the key properties of 4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide?
4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide has a molecular weight of 361.39 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide is sourced from PubChem (CID 78778582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).