1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea

C24H23F3N2O4 — CID 135215449

IUPAC1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea
SMILESCOc1ccc(COC(F)(F)F)cc1NC(=O)NCc1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C24H23F3N2O4/c1-16-7-10-19(11-8-16)33-21-6-4-3-5-18(21)14-28-23(30)29-20-13-17(9-12-22(20)31-2)15-32-24(25,26)27/h3-13H,14-15H2,1-2H3,(H2,28,29,30)
InChIKeySCWLYPCZNSZHSQ-UHFFFAOYSA-N
MW460.45 g/mol
LogP6.15
Rot. Bonds8

About 1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea

1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea (PubChem CID 135215449) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is 1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea
PubChem CID135215449
Molecular FormulaC24H23F3N2O4
Molecular Weight460.45 g/mol
Exact Mass460.16
IUPAC Name1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea
SMILESCOc1ccc(COC(F)(F)F)cc1NC(=O)NCc1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C24H23F3N2O4/c1-16-7-10-19(11-8-16)33-21-6-4-3-5-18(21)14-28-23(30)29-20-13-17(9-12-22(20)31-2)15-32-24(25,26)27/h3-13H,14-15H2,1-2H3,(H2,28,29,30)
InChIKeySCWLYPCZNSZHSQ-UHFFFAOYSA-N
XLogP6.15
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.45
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea with MolForge

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Related Compounds

[4-[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]benzoyl]azanium
CID 145268886
4-[2-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
CID 126669544
4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
CID 126669737
3-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzoic acid
CID 126669353
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea
CID 126669515
1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-[[4-[4-(methylamino)butanoyl]phenyl]methoxy]phenyl]methyl]urea
CID 147615367
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
N-[2-(dimethylamino)ethyl]-4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide
CID 126669725
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea?
The IUPAC name of 1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea (CID 135215449) is 1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea is COc1ccc(COC(F)(F)F)cc1NC(=O)NCc1ccccc1Oc1ccc(C)cc1.
What is the InChIKey of 1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea?
The InChIKey is SCWLYPCZNSZHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4/c1-16-7-10-19(11-8-16)33-21-6-4-3-5-18(21)14-28-23(30)29-20-13-17(9-12-22(20)31-2)15-32-24(25,26)27/h3-13H,14-15H2,1-2H3,(H2,28,29,30).
What are the key properties of 1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea?
1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea has a molecular weight of 460.45 g/mol, XLogP of 6.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(trifluoromethoxymethyl)phenyl]-3-[[2-(4-methylphenoxy)phenyl]methyl]urea is sourced from PubChem (CID 135215449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).