N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide

C20H23F2NO2 — CID 126588302

IUPACN-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1c(COc2ccc(CC)cc2C)cccc1C(F)F
InChIInChI=1S/C20H23F2NO2/c1-4-14-9-10-17(13(3)11-14)25-12-15-7-6-8-16(20(21)22)19(15)23-18(24)5-2/h6-11,20H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyVQNGQNHERVHWNZ-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.42
Rot. Bonds7

About N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide

N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide (PubChem CID 126588302) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
PubChem CID126588302
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC NameN-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1c(COc2ccc(CC)cc2C)cccc1C(F)F
InChIInChI=1S/C20H23F2NO2/c1-4-14-9-10-17(13(3)11-14)25-12-15-7-6-8-16(20(21)22)19(15)23-18(24)5-2/h6-11,20H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyVQNGQNHERVHWNZ-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide 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 N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
The IUPAC name of N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide (CID 126588302) is N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide.
What is the SMILES notation for N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
The canonical SMILES for N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide is CCC(=O)Nc1c(COc2ccc(CC)cc2C)cccc1C(F)F.
What is the InChIKey of N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
The InChIKey is VQNGQNHERVHWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c1-4-14-9-10-17(13(3)11-14)25-12-15-7-6-8-16(20(21)22)19(15)23-18(24)5-2/h6-11,20H,4-5,12H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide?
N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide has a molecular weight of 347.41 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide is sourced from PubChem (CID 126588302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).