N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide

C20H30FNO3 — CID 18434110

IUPACN-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide
SMILESCOc1ccc(C(=O)CCCCCCCCCCNC(C)=O)cc1F
InChIInChI=1S/C20H30FNO3/c1-16(23)22-14-10-8-6-4-3-5-7-9-11-19(24)17-12-13-20(25-2)18(21)15-17/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)
InChIKeyZEZXTKVTFPSEEO-UHFFFAOYSA-N
MW351.46 g/mol
LogP4.66
Rot. Bonds13

About N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide

N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide (PubChem CID 18434110) has the molecular formula C20H30FNO3 and a molecular weight of 351.46 g/mol. Its IUPAC name is N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide.

Molecular Properties

Compound NameN-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide
PubChem CID18434110
Molecular FormulaC20H30FNO3
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC NameN-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide
SMILESCOc1ccc(C(=O)CCCCCCCCCCNC(C)=O)cc1F
InChIInChI=1S/C20H30FNO3/c1-16(23)22-14-10-8-6-4-3-5-7-9-11-19(24)17-12-13-20(25-2)18(21)15-17/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)
InChIKeyZEZXTKVTFPSEEO-UHFFFAOYSA-N
XLogP4.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.66
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

1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
1-(3-fluoro-4-methoxyphenyl)-4-(methylamino)butan-1-one
CID 116555583
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
4-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 119352903
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide
CID 119626874
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
1-(3-fluoro-4-methoxyphenyl)pent-4-en-1-one
CID 146006736
1-(4-fluoro-3-methoxyphenyl)decan-1-one
CID 114966463

Frequently Asked Questions

What is the IUPAC name of N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide?
The IUPAC name of N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide (CID 18434110) is N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide.
What is the SMILES notation for N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide?
The canonical SMILES for N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide is COc1ccc(C(=O)CCCCCCCCCCNC(C)=O)cc1F.
What is the InChIKey of N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide?
The InChIKey is ZEZXTKVTFPSEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO3/c1-16(23)22-14-10-8-6-4-3-5-7-9-11-19(24)17-12-13-20(25-2)18(21)15-17/h12-13,15H,3-11,14H2,1-2H3,(H,22,23).
What are the key properties of N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide?
N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide has a molecular weight of 351.46 g/mol, XLogP of 4.66, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide is sourced from PubChem (CID 18434110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).