2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide

C19H22FNO4 — CID 133211113

IUPAC2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NCCOc1ccc(OC)cc1
InChIInChI=1S/C19H22FNO4/c1-3-17(25-18-7-5-4-6-16(18)20)19(22)21-12-13-24-15-10-8-14(23-2)9-11-15/h4-11,17H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyVCLVDBCQSNDHCD-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.19
Rot. Bonds9

About 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide

2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide (PubChem CID 133211113) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
PubChem CID133211113
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NCCOc1ccc(OC)cc1
InChIInChI=1S/C19H22FNO4/c1-3-17(25-18-7-5-4-6-16(18)20)19(22)21-12-13-24-15-10-8-14(23-2)9-11-15/h4-11,17H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyVCLVDBCQSNDHCD-UHFFFAOYSA-N
XLogP3.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.19
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

N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
CID 133211115
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211089
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
2-(2,3-dimethylphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133240129
N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133240085
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132302
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255707
(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 99818320
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133240519
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide (CID 133211113) is 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide is CCC(Oc1ccccc1F)C(=O)NCCOc1ccc(OC)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide?
The InChIKey is VCLVDBCQSNDHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-3-17(25-18-7-5-4-6-16(18)20)19(22)21-12-13-24-15-10-8-14(23-2)9-11-15/h4-11,17H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide?
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide has a molecular weight of 347.39 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide is sourced from PubChem (CID 133211113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).