1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

C18H19F3N2O2 — CID 71810588

IUPAC1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOC(CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1C
InChIInChI=1S/C18H19F3N2O2/c1-12-7-3-4-8-13(12)16(25-2)11-22-17(24)23-15-10-6-5-9-14(15)18(19,20)21/h3-10,16H,11H2,1-2H3,(H2,22,23,24)
InChIKeyPBNCLCXLZOXCSH-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.52
Rot. Bonds5

About 1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 71810588) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID71810588
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOC(CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1C
InChIInChI=1S/C18H19F3N2O2/c1-12-7-3-4-8-13(12)16(25-2)11-22-17(24)23-15-10-6-5-9-14(15)18(19,20)21/h3-10,16H,11H2,1-2H3,(H2,22,23,24)
InChIKeyPBNCLCXLZOXCSH-UHFFFAOYSA-N
XLogP4.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417892
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417893
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 90598675
4-fluoro-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 97417642
N'-(3-chloro-2-methylphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598984
1-(4-hydroxy-2-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 66106705
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
2-[[[2-(trifluoromethyl)phenyl]carbamoylamino]methyl]butanoic acid
CID 65219510

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 71810588) is 1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is COC(CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1C.
What is the InChIKey of 1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is PBNCLCXLZOXCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12-7-3-4-8-13(12)16(25-2)11-22-17(24)23-15-10-6-5-9-14(15)18(19,20)21/h3-10,16H,11H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 352.36 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71810588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).