1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea

C13H16F3N3O — CID 2726849

IUPAC1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
SMILESO=C(Nc1cnccc1C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-6-7-17-8-11(10)19-12(20)18-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,18,19,20)
InChIKeyOHDRGEMIPORPIW-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.55
Rot. Bonds2

About 1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea

1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 2726849) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID2726849
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
SMILESO=C(Nc1cnccc1C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-6-7-17-8-11(10)19-12(20)18-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,18,19,20)
InChIKeyOHDRGEMIPORPIW-UHFFFAOYSA-N
XLogP3.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea (CID 2726849) is 1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea is O=C(Nc1cnccc1C(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is OHDRGEMIPORPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)10-6-7-17-8-11(10)19-12(20)18-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 287.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 2726849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).