3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea

C17H17F3N2O3 — CID 55570707

IUPAC3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESCOc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O3/c1-22(16(23)21-14-5-3-4-6-15(14)24-2)11-12-7-9-13(10-8-12)25-17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyGKXUSLVDEGIUQM-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.26
Rot. Bonds5

About 3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea

3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 55570707) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID55570707
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESCOc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O3/c1-22(16(23)21-14-5-3-4-6-15(14)24-2)11-12-7-9-13(10-8-12)25-17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyGKXUSLVDEGIUQM-UHFFFAOYSA-N
XLogP4.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624
1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea
CID 31770982
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86988400
1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(trifluoromethoxy)phenyl]urea
CID 86988095
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
1-methyl-3-(3-sulfamoylphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 38218632
3-[[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]amino]propanoic acid
CID 122019413
1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-nitrophenyl)urea
CID 17408467
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea (CID 55570707) is 3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea is COc1ccccc1NC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is GKXUSLVDEGIUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-22(16(23)21-14-5-3-4-6-15(14)24-2)11-12-7-9-13(10-8-12)25-17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea?
3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 354.33 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 55570707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).