N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide

C19H19F4NO2 — CID 126588872

IUPACN-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide
SMILESCCC(=O)Nc1cccc(F)c1COc1ccc(CC)cc1C(F)(F)F
InChIInChI=1S/C19H19F4NO2/c1-3-12-8-9-17(14(10-12)19(21,22)23)26-11-13-15(20)6-5-7-16(13)24-18(25)4-2/h5-10H,3-4,11H2,1-2H3,(H,24,25)
InChIKeyMDHMLPXSNBDABE-UHFFFAOYSA-N
MW369.36 g/mol
LogP5.33
Rot. Bonds6

About N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide

N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide (PubChem CID 126588872) has the molecular formula C19H19F4NO2 and a molecular weight of 369.36 g/mol. Its IUPAC name is N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide.

Molecular Properties

Compound NameN-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide
PubChem CID126588872
Molecular FormulaC19H19F4NO2
Molecular Weight369.36 g/mol
Exact Mass369.14
IUPAC NameN-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide
SMILESCCC(=O)Nc1cccc(F)c1COc1ccc(CC)cc1C(F)(F)F
InChIInChI=1S/C19H19F4NO2/c1-3-12-8-9-17(14(10-12)19(21,22)23)26-11-13-15(20)6-5-7-16(13)24-18(25)4-2/h5-10H,3-4,11H2,1-2H3,(H,24,25)
InChIKeyMDHMLPXSNBDABE-UHFFFAOYSA-N
XLogP5.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.36
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide?
The IUPAC name of N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide (CID 126588872) is N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide.
What is the SMILES notation for N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide?
The canonical SMILES for N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide is CCC(=O)Nc1cccc(F)c1COc1ccc(CC)cc1C(F)(F)F.
What is the InChIKey of N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide?
The InChIKey is MDHMLPXSNBDABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4NO2/c1-3-12-8-9-17(14(10-12)19(21,22)23)26-11-13-15(20)6-5-7-16(13)24-18(25)4-2/h5-10H,3-4,11H2,1-2H3,(H,24,25).
What are the key properties of N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide?
N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide has a molecular weight of 369.36 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide is sourced from PubChem (CID 126588872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).