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

C10H10BrF3N2O2 — CID 66817245

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

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

1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea (PubChem CID 66817245) has the molecular formula C10H10BrF3N2O2 and a molecular weight of 327.10 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
PubChem CID66817245
Molecular FormulaC10H10BrF3N2O2
Molecular Weight327.10 g/mol
Exact Mass325.99
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF3N2O2/c11-8-2-1-6(5-7(8)10(12,13)14)16-9(18)15-3-4-17/h1-2,5,17H,3-4H2,(H2,15,16,18)
InChIKeyWOMFGCPHBRCCNB-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-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 100675837
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110890752
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea
CID 60597825
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea
CID 115575186
(2R)-2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 79001303
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
N-[2-[4-bromo-3-(trifluoromethyl)anilino]ethyl]acetamide
CID 103604165
2-(aminomethyl)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 115431722
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 16755222
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 64854761
tert-butyl N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]carbamate
CID 60596349

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea (CID 66817245) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea?
The InChIKey is WOMFGCPHBRCCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O2/c11-8-2-1-6(5-7(8)10(12,13)14)16-9(18)15-3-4-17/h1-2,5,17H,3-4H2,(H2,15,16,18).
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea?
1-[4-bromo-3-(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-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 66817245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).