methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate

C17H16F3NO3 — CID 129038342

IUPACmethyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1COc1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C17H16F3NO3/c1-11-7-8-15(13(9-11)17(18,19)20)24-10-12-5-3-4-6-14(12)21-16(22)23-2/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyKZLVKWCETBNIFI-UHFFFAOYSA-N
MW339.31 g/mol
LogP4.77
Rot. Bonds4

About methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate

methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate (PubChem CID 129038342) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
PubChem CID129038342
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Namemethyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1COc1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C17H16F3NO3/c1-11-7-8-15(13(9-11)17(18,19)20)24-10-12-5-3-4-6-14(12)21-16(22)23-2/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyKZLVKWCETBNIFI-UHFFFAOYSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl [3-methyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl] carbonate
CID 122645421
N-[3-fluoro-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
CID 129038628
1-[(2,4-dimethylphenoxy)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 108870558
N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide
CID 129038856
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
methyl N-[3-bromo-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[3-chloro-2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]carbamate;methyl N-[2-[[4,5-dimethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate
CID 159792954
methyl N-[5-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039275
S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]carbamothioate
CID 129039524
2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286477
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate
CID 129039211
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate
CID 10903568
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate (CID 129038342) is methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate is COC(=O)Nc1ccccc1COc1ccc(C)cc1C(F)(F)F.
What is the InChIKey of methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate?
The InChIKey is KZLVKWCETBNIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-11-7-8-15(13(9-11)17(18,19)20)24-10-12-5-3-4-6-14(12)21-16(22)23-2/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate?
methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate has a molecular weight of 339.31 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate is sourced from PubChem (CID 129038342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).