N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide

C18H17F4NO2 — CID 129038628

IUPACN-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(F)c1COc1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C18H17F4NO2/c1-3-17(24)23-15-6-4-5-14(19)12(15)10-25-16-8-7-11(2)9-13(16)18(20,21)22/h4-9H,3,10H2,1-2H3,(H,23,24)
InChIKeyQTSPUEGGYSSRQX-UHFFFAOYSA-N
MW355.33 g/mol
LogP5.08
Rot. Bonds5

About N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide

N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide (PubChem CID 129038628) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
PubChem CID129038628
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC NameN-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(F)c1COc1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C18H17F4NO2/c1-3-17(24)23-15-6-4-5-14(19)12(15)10-25-16-8-7-11(2)9-13(16)18(20,21)22/h4-9H,3,10H2,1-2H3,(H,23,24)
InChIKeyQTSPUEGGYSSRQX-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.33
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038618
N-[3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-chloro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide;N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
CID 159680715
N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide
CID 129038589
methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
CID 129038342
O-ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 129038608
methyl [3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl] carbonate
CID 122645421
3-bromo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]benzoyl bromide
CID 121367531
O-methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-fluorophenyl]carbamothioate
CID 129038409
methyl N-hydroxy-N-[3-iodo-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
CID 129038830
N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588973
[3-fluoro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl] propanoate
CID 122645778
N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 129038836

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
The IUPAC name of N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide (CID 129038628) is N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide.
What is the SMILES notation for N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
The canonical SMILES for N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide is CCC(=O)Nc1cccc(F)c1COc1ccc(C)cc1C(F)(F)F.
What is the InChIKey of N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
The InChIKey is QTSPUEGGYSSRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO2/c1-3-17(24)23-15-6-4-5-14(19)12(15)10-25-16-8-7-11(2)9-13(16)18(20,21)22/h4-9H,3,10H2,1-2H3,(H,23,24).
What are the key properties of N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide has a molecular weight of 355.33 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide is sourced from PubChem (CID 129038628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).