N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide

C18H18F3NO2 — CID 175446008

IUPACN-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccccc2)c(OC(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2/c1-2-3-9-17(23)22-14-10-11-15(13-7-5-4-6-8-13)16(12-14)24-18(19,20)21/h4-8,10-12H,2-3,9H2,1H3,(H,22,23)
InChIKeyUATHLARKSQYEQR-UHFFFAOYSA-N
MW337.34 g/mol
LogP5.38
Rot. Bonds6

About N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide

N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide (PubChem CID 175446008) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide
PubChem CID175446008
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccccc2)c(OC(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2/c1-2-3-9-17(23)22-14-10-11-15(13-7-5-4-6-8-13)16(12-14)24-18(19,20)21/h4-8,10-12H,2-3,9H2,1H3,(H,22,23)
InChIKeyUATHLARKSQYEQR-UHFFFAOYSA-N
XLogP5.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide?
The IUPAC name of N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide (CID 175446008) is N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide?
The canonical SMILES for N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide is CCCCC(=O)Nc1ccc(-c2ccccc2)c(OC(F)(F)F)c1.
What is the InChIKey of N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide?
The InChIKey is UATHLARKSQYEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-2-3-9-17(23)22-14-10-11-15(13-7-5-4-6-8-13)16(12-14)24-18(19,20)21/h4-8,10-12H,2-3,9H2,1H3,(H,22,23).
What are the key properties of N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide?
N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide has a molecular weight of 337.34 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 175446008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).