1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea

C11H10BrF3N2O — CID 115575186

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)NC1CC1
InChIInChI=1S/C11H10BrF3N2O/c12-9-4-3-7(5-8(9)11(13,14)15)17-10(18)16-6-1-2-6/h3-6H,1-2H2,(H2,16,17,18)
InChIKeyUQBXSURFNGEHBN-UHFFFAOYSA-N
MW323.11 g/mol
LogP3.75
Rot. Bonds2

About 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea

1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea (PubChem CID 115575186) has the molecular formula C11H10BrF3N2O and a molecular weight of 323.11 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea
PubChem CID115575186
Molecular FormulaC11H10BrF3N2O
Molecular Weight323.11 g/mol
Exact Mass321.99
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)NC1CC1
InChIInChI=1S/C11H10BrF3N2O/c12-9-4-3-7(5-8(9)11(13,14)15)17-10(18)16-6-1-2-6/h3-6H,1-2H2,(H2,16,17,18)
InChIKeyUQBXSURFNGEHBN-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 39899500
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 66817245
2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974356
4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
CID 114309058
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-piperidin-4-ylurea
CID 118409077
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 16755222
(2R)-2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 79001303
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359
cis-(1S,2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 8919754
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110890752
methyl 2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112617350

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea (CID 115575186) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)NC1CC1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea?
The InChIKey is UQBXSURFNGEHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O/c12-9-4-3-7(5-8(9)11(13,14)15)17-10(18)16-6-1-2-6/h3-6H,1-2H2,(H2,16,17,18).
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea?
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea has a molecular weight of 323.11 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea is sourced from PubChem (CID 115575186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).