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

C11H14F2N2O3 — CID 66168207

IUPAC1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
SMILESCC(O)(CO)CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O3/c1-11(18,6-16)5-14-10(17)15-9-3-2-7(12)4-8(9)13/h2-4,16,18H,5-6H2,1H3,(H2,14,15,17)
InChIKeyPGIQEZVCZWNIBR-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.83
Rot. Bonds4

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

1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea (PubChem CID 66168207) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
PubChem CID66168207
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
SMILESCC(O)(CO)CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O3/c1-11(18,6-16)5-14-10(17)15-9-3-2-7(12)4-8(9)13/h2-4,16,18H,5-6H2,1H3,(H2,14,15,17)
InChIKeyPGIQEZVCZWNIBR-UHFFFAOYSA-N
XLogP0.83
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea
CID 66179176
N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
CID 17424278
4-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002615
4-[(2-fluoro-4-methylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002794
1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213675
4-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001200
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanamide
CID 107258525
1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 62521942
1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111430082
1-(4-bromo-2-fluorophenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111472928
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea (CID 66168207) is 1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea is CC(O)(CO)CNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea?
The InChIKey is PGIQEZVCZWNIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-11(18,6-16)5-14-10(17)15-9-3-2-7(12)4-8(9)13/h2-4,16,18H,5-6H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea?
1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea has a molecular weight of 260.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea is sourced from PubChem (CID 66168207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).