N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide

C20H21F4NO2 — CID 126588884

IUPACN-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(F)F)c1COc1ccc(CC)cc1C(F)F
InChIInChI=1S/C20H21F4NO2/c1-3-12-8-9-17(14(10-12)20(23)24)27-11-15-13(19(21)22)6-5-7-16(15)25-18(26)4-2/h5-10,19-20H,3-4,11H2,1-2H3,(H,25,26)
InChIKeyWOMMPOPAPOTBOH-UHFFFAOYSA-N
MW383.39 g/mol
LogP6.05
Rot. Bonds8

About N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide

N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide (PubChem CID 126588884) has the molecular formula C20H21F4NO2 and a molecular weight of 383.39 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide
PubChem CID126588884
Molecular FormulaC20H21F4NO2
Molecular Weight383.39 g/mol
Exact Mass383.15
IUPAC NameN-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(F)F)c1COc1ccc(CC)cc1C(F)F
InChIInChI=1S/C20H21F4NO2/c1-3-12-8-9-17(14(10-12)20(23)24)27-11-15-13(19(21)22)6-5-7-16(15)25-18(26)4-2/h5-10,19-20H,3-4,11H2,1-2H3,(H,25,26)
InChIKeyWOMMPOPAPOTBOH-UHFFFAOYSA-N
XLogP6.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.39
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide?
The IUPAC name of N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide (CID 126588884) is N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide.
What is the SMILES notation for N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide?
The canonical SMILES for N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide is CCC(=O)Nc1cccc(C(F)F)c1COc1ccc(CC)cc1C(F)F.
What is the InChIKey of N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide?
The InChIKey is WOMMPOPAPOTBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4NO2/c1-3-12-8-9-17(14(10-12)20(23)24)27-11-15-13(19(21)22)6-5-7-16(15)25-18(26)4-2/h5-10,19-20H,3-4,11H2,1-2H3,(H,25,26).
What are the key properties of N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide?
N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide has a molecular weight of 383.39 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide is sourced from PubChem (CID 126588884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).