3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

C14H18BrFN2O2 — CID 110900938

IUPAC3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(NCCc1ccc(F)c(Br)c1)N(CCO)C1CC1
InChIInChI=1S/C14H18BrFN2O2/c15-12-9-10(1-4-13(12)16)5-6-17-14(20)18(7-8-19)11-2-3-11/h1,4,9,11,19H,2-3,5-8H2,(H,17,20)
InChIKeyUXUMMXJEBPIWHK-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.30
Rot. Bonds6

About 3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 110900938) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID110900938
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(NCCc1ccc(F)c(Br)c1)N(CCO)C1CC1
InChIInChI=1S/C14H18BrFN2O2/c15-12-9-10(1-4-13(12)16)5-6-17-14(20)18(7-8-19)11-2-3-11/h1,4,9,11,19H,2-3,5-8H2,(H,17,20)
InChIKeyUXUMMXJEBPIWHK-UHFFFAOYSA-N
XLogP2.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol
CID 61036825
1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111104348
(2S)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 119299748
(2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 119299762
1-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505097
3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119742372
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110895460
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea
CID 110904170
N-[2-(3-bromo-4-fluorophenyl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110934328
N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methylsulfonylcyclopropane-1-carboxamide
CID 166211002
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119742387

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 110900938) is 3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is O=C(NCCc1ccc(F)c(Br)c1)N(CCO)C1CC1.
What is the InChIKey of 3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is UXUMMXJEBPIWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c15-12-9-10(1-4-13(12)16)5-6-17-14(20)18(7-8-19)11-2-3-11/h1,4,9,11,19H,2-3,5-8H2,(H,17,20).
What are the key properties of 3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 345.21 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110900938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).