1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

C13H15BrF2N2O2 — CID 111976434

IUPAC1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCC(CO)(NC(=O)Nc1c(F)cc(Br)cc1F)C1CC1
InChIInChI=1S/C13H15BrF2N2O2/c1-13(6-19,7-2-3-7)18-12(20)17-11-9(15)4-8(14)5-10(11)16/h4-5,7,19H,2-3,6H2,1H3,(H2,17,18,20)
InChIKeyVSBQGJYXDZYYCI-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.01
Rot. Bonds4

About 1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (PubChem CID 111976434) has the molecular formula C13H15BrF2N2O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
PubChem CID111976434
Molecular FormulaC13H15BrF2N2O2
Molecular Weight349.18 g/mol
Exact Mass348.03
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCC(CO)(NC(=O)Nc1c(F)cc(Br)cc1F)C1CC1
InChIInChI=1S/C13H15BrF2N2O2/c1-13(6-19,7-2-3-7)18-12(20)17-11-9(15)4-8(14)5-10(11)16/h4-5,7,19H,2-3,6H2,1H3,(H2,17,18,20)
InChIKeyVSBQGJYXDZYYCI-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
CID 111976204
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea
CID 111976449
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 71969083
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976377
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976400
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 111976218
1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894509
1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976246
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-ethoxy-4-methylphenyl)urea
CID 111976318
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
CID 111976325

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (CID 111976434) is 1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is CC(CO)(NC(=O)Nc1c(F)cc(Br)cc1F)C1CC1.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The InChIKey is VSBQGJYXDZYYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O2/c1-13(6-19,7-2-3-7)18-12(20)17-11-9(15)4-8(14)5-10(11)16/h4-5,7,19H,2-3,6H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea has a molecular weight of 349.18 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 111976434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).