N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

C18H15F3N2O2 — CID 66848441

IUPACN-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1
InChIInChI=1S/C18H15F3N2O2/c1-2-17(24)23(15-5-3-4-14(10-15)11-22)12-13-6-8-16(9-7-13)25-18(19,20)21/h3-10H,2,12H2,1H3
InChIKeyUDZUZIRWABGGGB-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.40
Rot. Bonds5

About N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 66848441) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID66848441
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1
InChIInChI=1S/C18H15F3N2O2/c1-2-17(24)23(15-5-3-4-14(10-15)11-22)12-13-6-8-16(9-7-13)25-18(19,20)21/h3-10H,2,12H2,1H3
InChIKeyUDZUZIRWABGGGB-UHFFFAOYSA-N
XLogP4.40
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (CID 66848441) is N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is UDZUZIRWABGGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-2-17(24)23(15-5-3-4-14(10-15)11-22)12-13-6-8-16(9-7-13)25-18(19,20)21/h3-10H,2,12H2,1H3.
What are the key properties of N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 348.32 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 66848441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).