N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide

C13H18FNO2 — CID 78883434

IUPACN-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide
SMILESCCN(C(=O)CCCOC)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-15(13(16)5-4-10-17-2)12-8-6-11(14)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKeyQQZKMLCEPDWSJI-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.61
Rot. Bonds6

About N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide

N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide (PubChem CID 78883434) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide
PubChem CID78883434
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide
SMILESCCN(C(=O)CCCOC)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-15(13(16)5-4-10-17-2)12-8-6-11(14)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKeyQQZKMLCEPDWSJI-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
N-ethyl-N-(4-fluorophenyl)-4-hydroxypentanamide
CID 79192647
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855
N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 78847364
2-(2-chlorophenyl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 60592550
N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-phenylbutanamide
CID 55363261
N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040
N-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55380115
3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide
CID 134055535
3-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43092515
N-ethyl-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 60592511

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide (CID 78883434) is N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide is CCN(C(=O)CCCOC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide?
The InChIKey is QQZKMLCEPDWSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-15(13(16)5-4-10-17-2)12-8-6-11(14)7-9-12/h6-9H,3-5,10H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide?
N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide has a molecular weight of 239.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide is sourced from PubChem (CID 78883434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).