N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide

C17H15ClF3NO — CID 842100

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C17H15ClF3NO/c18-13-9-10-15(14(11-13)17(19,20)21)22-16(23)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,22,23)
InChIKeyRPITULPGOOEJHU-UHFFFAOYSA-N
MW341.76 g/mol
LogP5.32
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide (PubChem CID 842100) has the molecular formula C17H15ClF3NO and a molecular weight of 341.76 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
PubChem CID842100
Molecular FormulaC17H15ClF3NO
Molecular Weight341.76 g/mol
Exact Mass341.08
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C17H15ClF3NO/c18-13-9-10-15(14(11-13)17(19,20)21)22-16(23)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,22,23)
InChIKeyRPITULPGOOEJHU-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.76
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide (CID 842100) is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide?
The InChIKey is RPITULPGOOEJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO/c18-13-9-10-15(14(11-13)17(19,20)21)22-16(23)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,22,23).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide has a molecular weight of 341.76 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 842100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).