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

C18H19F2NO2 — CID 129038856

IUPACN-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1COc1ccc(C)cc1C(F)F
InChIInChI=1S/C18H19F2NO2/c1-3-17(22)21-15-7-5-4-6-13(15)11-23-16-9-8-12(2)10-14(16)18(19)20/h4-10,18H,3,11H2,1-2H3,(H,21,22)
InChIKeyHXDLPTQQJKYDAK-UHFFFAOYSA-N
MW319.35 g/mol
LogP4.86
Rot. Bonds6

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

N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide (PubChem CID 129038856) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide
PubChem CID129038856
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC NameN-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1COc1ccc(C)cc1C(F)F
InChIInChI=1S/C18H19F2NO2/c1-3-17(22)21-15-7-5-4-6-13(15)11-23-16-9-8-12(2)10-14(16)18(19)20/h4-10,18H,3,11H2,1-2H3,(H,21,22)
InChIKeyHXDLPTQQJKYDAK-UHFFFAOYSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide
CID 126588884
methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
CID 129038342
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039598
N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
CID 129039617
N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide
CID 129038789
[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl] methyl carbonate
CID 122645423
methyl N-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-ethylphenyl]carbamate
CID 126588372
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide
CID 129038589
O-methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-fluorophenyl]carbamothioate
CID 129038409
N-(2-ethyl-4-methylphenyl)propanamide
CID 90352566

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide?
The IUPAC name of N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide (CID 129038856) is N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide.
What is the SMILES notation for N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide?
The canonical SMILES for N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide is CCC(=O)Nc1ccccc1COc1ccc(C)cc1C(F)F.
What is the InChIKey of N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide?
The InChIKey is HXDLPTQQJKYDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-3-17(22)21-15-7-5-4-6-13(15)11-23-16-9-8-12(2)10-14(16)18(19)20/h4-10,18H,3,11H2,1-2H3,(H,21,22).
What are the key properties of N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide?
N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide has a molecular weight of 319.35 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide is sourced from PubChem (CID 129038856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).