N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide

C22H25F2NO2 — CID 129038789

IUPACN-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2CC2)c1COc1cc(C)c(C)cc1C(F)F
InChIInChI=1S/C22H25F2NO2/c1-4-21(26)25-19-7-5-6-16(15-8-9-15)18(19)12-27-20-11-14(3)13(2)10-17(20)22(23)24/h5-7,10-11,15,22H,4,8-9,12H2,1-3H3,(H,25,26)
InChIKeyIWPJZASCHMFZRK-UHFFFAOYSA-N
MW373.44 g/mol
LogP6.05
Rot. Bonds7

About N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide

N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide (PubChem CID 129038789) has the molecular formula C22H25F2NO2 and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide
PubChem CID129038789
Molecular FormulaC22H25F2NO2
Molecular Weight373.44 g/mol
Exact Mass373.19
IUPAC NameN-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2CC2)c1COc1cc(C)c(C)cc1C(F)F
InChIInChI=1S/C22H25F2NO2/c1-4-21(26)25-19-7-5-6-16(15-8-9-15)18(19)12-27-20-11-14(3)13(2)10-17(20)22(23)24/h5-7,10-11,15,22H,4,8-9,12H2,1-3H3,(H,25,26)
InChIKeyIWPJZASCHMFZRK-UHFFFAOYSA-N
XLogP6.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]propanethioamide
CID 129039138
N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]propanamide
CID 126588884
N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038618
methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-ethylphenyl]carbamate;methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]-3-methylphenyl]carbamate)
CID 159854975
N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 129038836
N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide
CID 129038856
N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588973
methyl N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]-3-ethoxyphenyl]-N-hydroxycarbamate;methyl N-[2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]-3-ethylphenyl]-N-hydroxycarbamate;methyl N-[2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]-3-(hydroxymethyl)phenyl]-N-hydroxycarbamate;bis(methyl N-[2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]-3-methylphenyl]-N-hydroxycarbamate)
CID 162117501
[2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]-3-ethylphenyl] propanoate
CID 122646112
N-[3-chloro-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038837
[3-cyclopropyl-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate
CID 122645686
N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide
CID 126587753

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide?
The IUPAC name of N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide (CID 129038789) is N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide.
What is the SMILES notation for N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide?
The canonical SMILES for N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide is CCC(=O)Nc1cccc(C2CC2)c1COc1cc(C)c(C)cc1C(F)F.
What is the InChIKey of N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide?
The InChIKey is IWPJZASCHMFZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO2/c1-4-21(26)25-19-7-5-6-16(15-8-9-15)18(19)12-27-20-11-14(3)13(2)10-17(20)22(23)24/h5-7,10-11,15,22H,4,8-9,12H2,1-3H3,(H,25,26).
What are the key properties of N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide?
N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide has a molecular weight of 373.44 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-2-[[2-(difluoromethyl)-4,5-dimethylphenoxy]methyl]phenyl]propanamide is sourced from PubChem (CID 129038789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).