1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea

C12H14F3N3O — CID 66188265

IUPAC1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
SMILESCN(C(=O)Nc1ccccc1C(F)(F)F)C1CNC1
InChIInChI=1S/C12H14F3N3O/c1-18(8-6-16-7-8)11(19)17-10-5-3-2-4-9(10)12(13,14)15/h2-5,8,16H,6-7H2,1H3,(H,17,19)
InChIKeyRNSBRASHXLKYLP-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.14
Rot. Bonds2

About 1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea

1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 66188265) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID66188265
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
SMILESCN(C(=O)Nc1ccccc1C(F)(F)F)C1CNC1
InChIInChI=1S/C12H14F3N3O/c1-18(8-6-16-7-8)11(19)17-10-5-3-2-4-9(10)12(13,14)15/h2-5,8,16H,6-7H2,1H3,(H,17,19)
InChIKeyRNSBRASHXLKYLP-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea
CID 69478072
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
CID 108887668
1-(2-cyanoethyl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 61314609
1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 75397893
5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide
CID 63102747
1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765684
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770
1-(4-aminobutan-2-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 63225617
1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
CID 107172661

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea (CID 66188265) is 1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea is CN(C(=O)Nc1ccccc1C(F)(F)F)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is RNSBRASHXLKYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-18(8-6-16-7-8)11(19)17-10-5-3-2-4-9(10)12(13,14)15/h2-5,8,16H,6-7H2,1H3,(H,17,19).
What are the key properties of 1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea?
1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 273.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 66188265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).