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

C18H17F4N3O — CID 118903279

IUPAC1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(CC2(F)CNC2)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F4N3O/c19-17(10-23-11-17)9-12-1-5-14(6-2-12)24-16(26)25-15-7-3-13(4-8-15)18(20,21)22/h1-8,23H,9-11H2,(H2,24,25,26)
InChIKeyJCLFKOWXTCOKNG-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.20
Rot. Bonds4

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

1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 118903279) has the molecular formula C18H17F4N3O and a molecular weight of 367.35 g/mol. Its IUPAC name is 1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID118903279
Molecular FormulaC18H17F4N3O
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Name1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(CC2(F)CNC2)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F4N3O/c19-17(10-23-11-17)9-12-1-5-14(6-2-12)24-16(26)25-15-7-3-13(4-8-15)18(20,21)22/h1-8,23H,9-11H2,(H2,24,25,26)
InChIKeyJCLFKOWXTCOKNG-UHFFFAOYSA-N
XLogP4.20
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 118903279) is 1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(CC2(F)CNC2)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is JCLFKOWXTCOKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O/c19-17(10-23-11-17)9-12-1-5-14(6-2-12)24-16(26)25-15-7-3-13(4-8-15)18(20,21)22/h1-8,23H,9-11H2,(H2,24,25,26).
What are the key properties of 1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 367.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 118903279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).