4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C13H16F3NO2 — CID 10221200

IUPAC4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCOCCCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-19-8-2-3-12(18)17-9-10-4-6-11(7-5-10)13(14,15)16/h4-7H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyQLZOWJNFLXSDSH-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.75
Rot. Bonds6

About 4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 10221200) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID10221200
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCOCCCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-19-8-2-3-12(18)17-9-10-4-6-11(7-5-10)13(14,15)16/h4-7H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyQLZOWJNFLXSDSH-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 10221200) is 4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is COCCCC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is QLZOWJNFLXSDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-19-8-2-3-12(18)17-9-10-4-6-11(7-5-10)13(14,15)16/h4-7H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 275.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 10221200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).