3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea

C15H22F2N2O — CID 6468651

IUPAC3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2O/c1-10(2)8-19(9-11(3)4)15(20)18-14-6-5-12(16)7-13(14)17/h5-7,10-11H,8-9H2,1-4H3,(H,18,20)
InChIKeyJEUADLUTXMEWKG-UHFFFAOYSA-N
MW284.35 g/mol
LogP4.11
Rot. Bonds5

About 3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea

3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea (PubChem CID 6468651) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea
PubChem CID6468651
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2O/c1-10(2)8-19(9-11(3)4)15(20)18-14-6-5-12(16)7-13(14)17/h5-7,10-11H,8-9H2,1-4H3,(H,18,20)
InChIKeyJEUADLUTXMEWKG-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea (CID 6468651) is 3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea is CC(C)CN(CC(C)C)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea?
The InChIKey is JEUADLUTXMEWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-10(2)8-19(9-11(3)4)15(20)18-14-6-5-12(16)7-13(14)17/h5-7,10-11H,8-9H2,1-4H3,(H,18,20).
What are the key properties of 3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea?
3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea has a molecular weight of 284.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 6468651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).