N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide

C22H27F2NO2 — CID 129049186

IUPACN-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1cccc(C(F)F)c1COc1cc(C)c(CC)cc1C
InChIInChI=1S/C22H27F2NO2/c1-6-16-11-15(4)20(12-14(16)3)27-13-18-17(22(23)24)9-8-10-19(18)25(5)21(26)7-2/h8-12,22H,6-7,13H2,1-5H3
InChIKeyARRKKWIHVMAAKJ-UHFFFAOYSA-N
MW375.46 g/mol
LogP5.76
Rot. Bonds7

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

N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide (PubChem CID 129049186) has the molecular formula C22H27F2NO2 and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide
PubChem CID129049186
Molecular FormulaC22H27F2NO2
Molecular Weight375.46 g/mol
Exact Mass375.20
IUPAC NameN-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1cccc(C(F)F)c1COc1cc(C)c(CC)cc1C
InChIInChI=1S/C22H27F2NO2/c1-6-16-11-15(4)20(12-14(16)3)27-13-18-17(22(23)24)9-8-10-19(18)25(5)21(26)7-2/h8-12,22H,6-7,13H2,1-5H3
InChIKeyARRKKWIHVMAAKJ-UHFFFAOYSA-N
XLogP5.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide
CID 126588910
N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]propanethioamide
CID 126588986
N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide
CID 129038967
N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-methylpropanamide
CID 129039032
N-[3-cyclopropyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126588218
N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 129038909
1,3-diamino-1-[3-(difluoromethyl)-2-[(2-ethyl-4-hydroxyphenoxy)methyl]phenyl]-3-methylurea
CID 144659566
methyl N-[3-bromo-2-[[2-(difluoromethyl)-4-ethyl-5-methylphenoxy]methyl]phenyl]-N-hydroxycarbamate
CID 126588187
[2-[[2-(difluoromethyl)-4-ethyl-5-methylphenoxy]methyl]-3-iodophenyl] propanoate
CID 122649880
[2-[[2-(difluoromethyl)-4-ethyl-5-methylphenoxy]methyl]-3-methylsulfanylphenyl] propanoate
CID 122649487
S-[3-ethyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl] ethanethioate
CID 122649579
[3-ethoxy-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122649555

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide (CID 129049186) is N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1cccc(C(F)F)c1COc1cc(C)c(CC)cc1C.
What is the InChIKey of N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide?
The InChIKey is ARRKKWIHVMAAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2NO2/c1-6-16-11-15(4)20(12-14(16)3)27-13-18-17(22(23)24)9-8-10-19(18)25(5)21(26)7-2/h8-12,22H,6-7,13H2,1-5H3.
What are the key properties of N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide?
N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide has a molecular weight of 375.46 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 129049186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).