1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

C12H16F2N2O2 — CID 111754526

IUPAC1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCC(C)(CCO)NC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-12(2,3-4-17)16-11(18)15-10-6-8(13)5-9(14)7-10/h5-7,17H,3-4H2,1-2H3,(H2,15,16,18)
InChIKeyKDDYZNAIRCIMPV-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.25
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111754526) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111754526
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCC(C)(CCO)NC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-12(2,3-4-17)16-11(18)15-10-6-8(13)5-9(14)7-10/h5-7,17H,3-4H2,1-2H3,(H2,15,16,18)
InChIKeyKDDYZNAIRCIMPV-UHFFFAOYSA-N
XLogP2.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754283
1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754626
1-(3-bromo-5-fluorophenyl)-3-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)urea
CID 84586741
1-(3-bromo-5-fluorophenyl)-3-[(2R)-4-hydroxy-1-methoxy-2-methylbutan-2-yl]urea
CID 97224068
3-[(3-chloro-5-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107368755
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926029
1-(4-tert-butylsulfanylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754830
1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea
CID 111926767
1-(2-ethoxy-4-fluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754658
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926554
1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
CID 111519668
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 75424341

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 111754526) is 1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is CC(C)(CCO)NC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is KDDYZNAIRCIMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-12(2,3-4-17)16-11(18)15-10-6-8(13)5-9(14)7-10/h5-7,17H,3-4H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 258.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111754526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).