N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide

C13H16F3NO2 — CID 140555340

IUPACN-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide
SMILESCCCC(=O)NOCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-2-3-12(18)17-19-9-8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyJAJFOZWYNTZBOK-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.10
Rot. Bonds6

About N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide

N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide (PubChem CID 140555340) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide
PubChem CID140555340
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide
SMILESCCCC(=O)NOCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-2-3-12(18)17-19-9-8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyJAJFOZWYNTZBOK-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 13352732
CID 13352732
CID 10867762
CID 10867762
CID 93608488
CID 93608488
CID 14273310
CID 14273310
CID 17783819
CID 17783819
CID 17783821
CID 17783821
CID 18378243
CID 18378243
CID 53887456
CID 53887456
CID 54530535
CID 54530535
CID 88294311
CID 88294311
CID 88348994
CID 88348994
CID 134320062
CID 134320062

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide (CID 140555340) is N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide is CCCC(=O)NOCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide?
The InChIKey is JAJFOZWYNTZBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-3-12(18)17-19-9-8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide?
N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide has a molecular weight of 275.27 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)phenyl]ethoxy]butanamide is sourced from PubChem (CID 140555340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).