2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide

C19H20F3NO — CID 129081919

IUPAC2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(CCCCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)17-8-4-3-7-16(17)6-2-1-5-14-9-11-15(12-10-14)13-18(23)24/h3-4,7-12H,1-2,5-6,13H2,(H2,23,24)
InChIKeyCJEMOKUPJGVHPS-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.30
Rot. Bonds7

About 2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide

2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide (PubChem CID 129081919) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide
PubChem CID129081919
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(CCCCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)17-8-4-3-7-16(17)6-2-1-5-14-9-11-15(12-10-14)13-18(23)24/h3-4,7-12H,1-2,5-6,13H2,(H2,23,24)
InChIKeyCJEMOKUPJGVHPS-UHFFFAOYSA-N
XLogP4.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Naphthaleneacetamide
CID 6861
Senicapoc
CID 216327
Cyheptamide
CID 23603
2,2-Diphenylacetamide
CID 78420
5H-Dibenzo(a,d)cycloheptene-5-carboxamide
CID 25255
Ibuprofenamide
CID 101072
5-(Biphenyl-4-yl)-pentanoic acid N-hydroxyamide
CID 22915475
2,2-bis(3-fluorophenyl)-N-hydroxyacetamide
CID 45482630
2,2-bis(4-fluorophenyl)-N-hydroxyacetamide
CID 45482672
Flurbiprofen amide
CID 9837706
Dsp-0565
CID 46189864
Cyclohexaneacetamide, 4-phenyl-
CID 221297

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
The IUPAC name of 2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide (CID 129081919) is 2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide is NC(=O)Cc1ccc(CCCCc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
The InChIKey is CJEMOKUPJGVHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c20-19(21,22)17-8-4-3-7-16(17)6-2-1-5-14-9-11-15(12-10-14)13-18(23)24/h3-4,7-12H,1-2,5-6,13H2,(H2,23,24).
What are the key properties of 2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide?
2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetamide is sourced from PubChem (CID 129081919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).