4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide

C21H23F2NO4 — CID 51952508

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C21H23F2NO4/c1-13(17-8-7-16(22)12-18(17)23)24-21(26)5-4-10-28-19-9-6-15(14(2)25)11-20(19)27-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyNAGYEZXUPMFULT-CYBMUJFWSA-N
MW391.41 g/mol
LogP4.21
Rot. Bonds9

About 4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide (PubChem CID 51952508) has the molecular formula C21H23F2NO4 and a molecular weight of 391.41 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide
PubChem CID51952508
Molecular FormulaC21H23F2NO4
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C21H23F2NO4/c1-13(17-8-7-16(22)12-18(17)23)24-21(26)5-4-10-28-19-9-6-15(14(2)25)11-20(19)27-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,26)/t13-/m1/s1
InChIKeyNAGYEZXUPMFULT-CYBMUJFWSA-N
XLogP4.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.21
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

4-(4-acetyl-2-methoxyphenoxy)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]butanamide
CID 55738513
2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide
CID 55750497
1-[4-[3-[4-[bis(2,4-difluorophenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 15093862
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
4-(4-acetyl-2-methoxyphenoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]butanamide
CID 55790441
4-(4-acetyl-2-methoxyphenoxy)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 55892746
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7965958
N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686258
1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 47032164
4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
CID 119324659

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide (CID 51952508) is 4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide is COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@H](C)c1ccc(F)cc1F.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide?
The InChIKey is NAGYEZXUPMFULT-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23F2NO4/c1-13(17-8-7-16(22)12-18(17)23)24-21(26)5-4-10-28-19-9-6-15(14(2)25)11-20(19)27-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,26)/t13-/m1/s1.
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide has a molecular weight of 391.41 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]butanamide is sourced from PubChem (CID 51952508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).