1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea

C10H10BrF3N2O2 — CID 100675837

IUPAC1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc(C(F)(F)F)c(Br)c1
InChIInChI=1S/C10H10BrF3N2O2/c11-8-5-6(16-9(18)15-3-4-17)1-2-7(8)10(12,13)14/h1-2,5,17H,3-4H2,(H2,15,16,18)
InChIKeyZRKBKPDTLCTNPR-UHFFFAOYSA-N
MW327.10 g/mol
LogP2.58
Rot. Bonds3

About 1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea

1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea (PubChem CID 100675837) has the molecular formula C10H10BrF3N2O2 and a molecular weight of 327.10 g/mol. Its IUPAC name is 1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
PubChem CID100675837
Molecular FormulaC10H10BrF3N2O2
Molecular Weight327.10 g/mol
Exact Mass325.99
IUPAC Name1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc(C(F)(F)F)c(Br)c1
InChIInChI=1S/C10H10BrF3N2O2/c11-8-5-6(16-9(18)15-3-4-17)1-2-7(8)10(12,13)14/h1-2,5,17H,3-4H2,(H2,15,16,18)
InChIKeyZRKBKPDTLCTNPR-UHFFFAOYSA-N
XLogP2.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 66817245
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea
CID 60597825
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 47237417
3-[[3-bromo-4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107336642
1-(3-hydroxypropanoylamino)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 75457843
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110890752
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-(4-amino-3-bromophenyl)-3-propylurea
CID 82861515
(2R)-2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 79001303
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea
CID 115575186

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea (CID 100675837) is 1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1ccc(C(F)(F)F)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea?
The InChIKey is ZRKBKPDTLCTNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O2/c11-8-5-6(16-9(18)15-3-4-17)1-2-7(8)10(12,13)14/h1-2,5,17H,3-4H2,(H2,15,16,18).
What are the key properties of 1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea?
1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea has a molecular weight of 327.10 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 100675837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).