2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide

C17H16F3NO3 — CID 71214821

IUPAC2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(N)=O
InChIInChI=1S/C17H16F3NO3/c1-2-9-23-15-8-5-12(10-14(15)16(21)22)11-3-6-13(7-4-11)24-17(18,19)20/h3-8,10H,2,9H2,1H3,(H2,21,22)
InChIKeyLHKJEYKIZRTRDT-UHFFFAOYSA-N
MW339.31 g/mol
LogP4.14
Rot. Bonds6

About 2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide

2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 71214821) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID71214821
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(N)=O
InChIInChI=1S/C17H16F3NO3/c1-2-9-23-15-8-5-12(10-14(15)16(21)22)11-3-6-13(7-4-11)24-17(18,19)20/h3-8,10H,2,9H2,1H3,(H2,21,22)
InChIKeyLHKJEYKIZRTRDT-UHFFFAOYSA-N
XLogP4.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3282
CID 3282
CID 3316
CID 3316
CID 2728050
CID 2728050
CID 208946
CID 208946
CID 8607850
CID 8607850
CID 1911970
CID 1911970
CID 43051
CID 43051
CID 43269
CID 43269
CID 84488
CID 84488
CID 18740353
CID 18740353
CID 71661
CID 71661
CID 156022394
CID 156022394

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide (CID 71214821) is 2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide is CCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(N)=O.
What is the InChIKey of 2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is LHKJEYKIZRTRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-2-9-23-15-8-5-12(10-14(15)16(21)22)11-3-6-13(7-4-11)24-17(18,19)20/h3-8,10H,2,9H2,1H3,(H2,21,22).
What are the key properties of 2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 339.31 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-5-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 71214821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).