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

C17H16F3NO — CID 2234964

IUPAC4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3NO/c18-17(19,20)14-10-4-5-11-15(14)21-16(22)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,21,22)
InChIKeyDFUBOYORKWLDQL-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.67
Rot. Bonds5

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

4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 2234964) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is 4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID2234964
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3NO/c18-17(19,20)14-10-4-5-11-15(14)21-16(22)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,21,22)
InChIKeyDFUBOYORKWLDQL-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide (CID 2234964) is 4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide is O=C(CCCc1ccccc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is DFUBOYORKWLDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c18-17(19,20)14-10-4-5-11-15(14)21-16(22)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,21,22).
What are the key properties of 4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide?
4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 307.32 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 2234964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).