1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C12H14F3N3O — CID 66186397

IUPAC1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CNC1
InChIInChI=1S/C12H14F3N3O/c1-18(10-6-16-7-10)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10,16H,6-7H2,1H3,(H,17,19)
InChIKeyAJMOLERNPAIEKQ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.14
Rot. Bonds2

About 1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 66186397) 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-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID66186397
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CNC1
InChIInChI=1S/C12H14F3N3O/c1-18(10-6-16-7-10)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10,16H,6-7H2,1H3,(H,17,19)
InChIKeyAJMOLERNPAIEKQ-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-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 66188265
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418
azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79338363
3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 63643002
1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107585253
3-(4-cyanophenyl)-1-methyl-1-pyrrolidin-3-ylurea
CID 63297846
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 66187335
1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331
1-methyl-3-(4-nitrophenyl)-1-pyrrolidin-3-ylurea
CID 63297706
1-methyl-1-(oxan-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 91905230
1-methyl-1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 56837029
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CID 66186397) is 1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea is CN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is AJMOLERNPAIEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-18(10-6-16-7-10)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10,16H,6-7H2,1H3,(H,17,19).
What are the key properties of 1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea?
1-(azetidin-3-yl)-1-methyl-3-[4-(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-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 66186397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).