1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea

C13H17F3N2O — CID 110460027

IUPAC1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCN(C)C(=O)NC(C)(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-12(2,17-11(19)18(3)4)9-7-5-6-8-10(9)13(14,15)16/h5-8H,1-4H3,(H,17,19)
InChIKeyYBDREMKZSTYXGR-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.21
Rot. Bonds2

About 1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea

1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea (PubChem CID 110460027) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
PubChem CID110460027
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCN(C)C(=O)NC(C)(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-12(2,17-11(19)18(3)4)9-7-5-6-8-10(9)13(14,15)16/h5-8H,1-4H3,(H,17,19)
InChIKeyYBDREMKZSTYXGR-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 110478382
3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea
CID 146447985
1,1-dimethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870551
S-[2-(trifluoromethyl)phenyl] N,N-dimethylcarbamothioate
CID 14795411
1,1-dimethyl-3-(trifluoromethyl)urea
CID 174290727
2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid
CID 79366706
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78766636
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
N,N-diethylethanamine;2-(trifluoromethyl)benzenesulfonic acid
CID 175841862
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide
CID 68627712
2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 116566489

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea (CID 110460027) is 1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea is CN(C)C(=O)NC(C)(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea?
The InChIKey is YBDREMKZSTYXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-12(2,17-11(19)18(3)4)9-7-5-6-8-10(9)13(14,15)16/h5-8H,1-4H3,(H,17,19).
What are the key properties of 1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea?
1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea has a molecular weight of 274.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea is sourced from PubChem (CID 110460027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).