N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide

C17H26FNO3 — CID 60574223

IUPACN-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(OCCOC)c(F)c1
InChIInChI=1S/C17H26FNO3/c1-3-4-5-6-7-8-17(20)19-14-9-10-16(15(18)13-14)22-12-11-21-2/h9-10,13H,3-8,11-12H2,1-2H3,(H,19,20)
InChIKeyPECHLIYUGUMKHP-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.15
Rot. Bonds11

About N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide

N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide (PubChem CID 60574223) has the molecular formula C17H26FNO3 and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
PubChem CID60574223
Molecular FormulaC17H26FNO3
Molecular Weight311.40 g/mol
Exact Mass311.19
IUPAC NameN-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(OCCOC)c(F)c1
InChIInChI=1S/C17H26FNO3/c1-3-4-5-6-7-8-17(20)19-14-9-10-16(15(18)13-14)22-12-11-21-2/h9-10,13H,3-8,11-12H2,1-2H3,(H,19,20)
InChIKeyPECHLIYUGUMKHP-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.15
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

N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
N-(4-bromo-3-fluorophenyl)octanamide
CID 65429012
N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide
CID 158882891
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
CID 119302610
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218
1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 119747542
N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 26161346
4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
CID 55890582

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide?
The IUPAC name of N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide (CID 60574223) is N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide.
What is the SMILES notation for N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide?
The canonical SMILES for N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide is CCCCCCCC(=O)Nc1ccc(OCCOC)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide?
The InChIKey is PECHLIYUGUMKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO3/c1-3-4-5-6-7-8-17(20)19-14-9-10-16(15(18)13-14)22-12-11-21-2/h9-10,13H,3-8,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide?
N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide has a molecular weight of 311.40 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide is sourced from PubChem (CID 60574223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).