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

C13H18F2N2O2 — CID 111430082

IUPAC1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
SMILESCCCC(C)(CO)NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-3-6-13(2,8-18)17-12(19)16-11-5-4-9(14)7-10(11)15/h4-5,7,18H,3,6,8H2,1-2H3,(H2,16,17,19)
InChIKeyVBPYSDLJUAPBKB-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.64
Rot. Bonds5

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

1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea (PubChem CID 111430082) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
PubChem CID111430082
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
SMILESCCCC(C)(CO)NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-3-6-13(2,8-18)17-12(19)16-11-5-4-9(14)7-10(11)15/h4-5,7,18H,3,6,8H2,1-2H3,(H2,16,17,19)
InChIKeyVBPYSDLJUAPBKB-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754450
1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 62521942
1-(2,3-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111926195
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
CID 111754129
1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216228
1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
CID 66168207
1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
CID 95972895
1-(2-chloro-4-methoxyphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754789
1-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-(2,4-difluorophenyl)urea
CID 61118848
N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
CID 17424278
1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754119
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 111754914

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea (CID 111430082) is 1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea is CCCC(C)(CO)NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea?
The InChIKey is VBPYSDLJUAPBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-3-6-13(2,8-18)17-12(19)16-11-5-4-9(14)7-10(11)15/h4-5,7,18H,3,6,8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea?
1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea has a molecular weight of 272.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea is sourced from PubChem (CID 111430082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).