3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide

C16H14F3NO2 — CID 155345859

IUPAC3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
SMILESNC(=O)CCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)22-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(20)21/h1-2,4-9H,3,10H2,(H2,20,21)
InChIKeyFBKPHGHVPPISOL-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.67
Rot. Bonds5

About 3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide

3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide (PubChem CID 155345859) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
PubChem CID155345859
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
SMILESNC(=O)CCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)22-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(20)21/h1-2,4-9H,3,10H2,(H2,20,21)
InChIKeyFBKPHGHVPPISOL-UHFFFAOYSA-N
XLogP3.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-[4-(trifluoromethoxy)phenyl]phenyl]pentanoic acid
CID 68891418
3-[4-(4-fluorophenyl)phenyl]propanamide
CID 150390429
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
4-ethyl-7-[4-(trifluoromethoxy)phenyl]hept-4-enamide
CID 154216105
benzyl 3-[4-(trifluoromethoxy)phenyl]propanoate
CID 145346373
2-[[4-(trifluoromethoxy)phenyl]methylamino]oxyacetamide
CID 112673035
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
methanesulfonic acid;2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethylamino]propanamide
CID 166633388
16-[4-(trifluoromethoxy)phenyl]hexadecan-2-one
CID 70484420
3-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119177395
3-[4-(trifluoromethoxy)phenyl]propanenitrile;3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 162216346

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide?
The IUPAC name of 3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide (CID 155345859) is 3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide.
What is the SMILES notation for 3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide?
The canonical SMILES for 3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide is NC(=O)CCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide?
The InChIKey is FBKPHGHVPPISOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)22-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(20)21/h1-2,4-9H,3,10H2,(H2,20,21).
What are the key properties of 3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide?
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide has a molecular weight of 309.29 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide is sourced from PubChem (CID 155345859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).