N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide

C20H24FNO3 — CID 132652633

IUPACN-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C20H24FNO3/c1-3-17(25-19-9-5-4-8-18(19)24-2)20(23)22-14-6-7-15-10-12-16(21)13-11-15/h4-5,8-13,17H,3,6-7,14H2,1-2H3,(H,22,23)
InChIKeyYXALWARVMPYILC-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.74
Rot. Bonds9

About N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide

N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide (PubChem CID 132652633) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
PubChem CID132652633
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C20H24FNO3/c1-3-17(25-19-9-5-4-8-18(19)24-2)20(23)22-14-6-7-15-10-12-16(21)13-11-15/h4-5,8-13,17H,3,6-7,14H2,1-2H3,(H,22,23)
InChIKeyYXALWARVMPYILC-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.74
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

2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655492
N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909517
(2R)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 93487591
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide (CID 132652633) is N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide is CCC(Oc1ccccc1OC)C(=O)NCCCc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide?
The InChIKey is YXALWARVMPYILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-3-17(25-19-9-5-4-8-18(19)24-2)20(23)22-14-6-7-15-10-12-16(21)13-11-15/h4-5,8-13,17H,3,6-7,14H2,1-2H3,(H,22,23).
What are the key properties of N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide?
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide has a molecular weight of 345.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 132652633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).