5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide

C18H15F6NO2 — CID 89378570

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(N)=O
InChIInChI=1S/C18H15F6NO2/c1-2-5-27-15-4-3-10(8-14(15)16(25)26)11-6-12(17(19,20)21)9-13(7-11)18(22,23)24/h3-4,6-9H,2,5H2,1H3,(H2,25,26)
InChIKeyMBSFLHNZKPBJNU-UHFFFAOYSA-N
MW391.31 g/mol
LogP5.28
Rot. Bonds5

About 5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide

5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide (PubChem CID 89378570) has the molecular formula C18H15F6NO2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide
PubChem CID89378570
Molecular FormulaC18H15F6NO2
Molecular Weight391.31 g/mol
Exact Mass391.10
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(N)=O
InChIInChI=1S/C18H15F6NO2/c1-2-5-27-15-4-3-10(8-14(15)16(25)26)11-6-12(17(19,20)21)9-13(7-11)18(22,23)24/h3-4,6-9H,2,5H2,1H3,(H2,25,26)
InChIKeyMBSFLHNZKPBJNU-UHFFFAOYSA-N
XLogP5.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.31
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide (CID 89378570) is 5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide is CCCOc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(N)=O.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide?
The InChIKey is MBSFLHNZKPBJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6NO2/c1-2-5-27-15-4-3-10(8-14(15)16(25)26)11-6-12(17(19,20)21)9-13(7-11)18(22,23)24/h3-4,6-9H,2,5H2,1H3,(H2,25,26).
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide?
5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide has a molecular weight of 391.31 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-2-propoxybenzamide is sourced from PubChem (CID 89378570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).