3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea

C12H14BrFN2O2 — CID 111476030

IUPAC3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1cc(F)cc(Br)c1)N(CCO)C1CC1
InChIInChI=1S/C12H14BrFN2O2/c13-8-5-9(14)7-10(6-8)15-12(18)16(3-4-17)11-1-2-11/h5-7,11,17H,1-4H2,(H,15,18)
InChIKeyKIWUZOHYASVHHT-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.58
Rot. Bonds4

About 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 111476030) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID111476030
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1cc(F)cc(Br)c1)N(CCO)C1CC1
InChIInChI=1S/C12H14BrFN2O2/c13-8-5-9(14)7-10(6-8)15-12(18)16(3-4-17)11-1-2-11/h5-7,11,17H,1-4H2,(H,15,18)
InChIKeyKIWUZOHYASVHHT-UHFFFAOYSA-N
XLogP2.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
1-(1,1-dioxothiolan-3-yl)-3-(3-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 75391286
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 97246115
1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea
CID 43429980
N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide
CID 124505704
3-[cyclopropyl-[(3,4,5-trifluorophenyl)carbamoyl]amino]propanoic acid
CID 62813928
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
CID 110891304
1-cyclopropyl-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(2-hydroxyethyl)urea
CID 167971400
3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111437751

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 111476030) is 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea is O=C(Nc1cc(F)cc(Br)c1)N(CCO)C1CC1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is KIWUZOHYASVHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-8-5-9(14)7-10(6-8)15-12(18)16(3-4-17)11-1-2-11/h5-7,11,17H,1-4H2,(H,15,18).
What are the key properties of 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 317.16 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111476030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).