1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea

C14H18BrFN2O2 — CID 84587604

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea
SMILESO=C(NCc1cc(F)cc(Br)c1)NC1(CCO)CCC1
InChIInChI=1S/C14H18BrFN2O2/c15-11-6-10(7-12(16)8-11)9-17-13(20)18-14(4-5-19)2-1-3-14/h6-8,19H,1-5,9H2,(H2,17,18,20)
InChIKeyUUIWCUGVZLXYEA-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.69
Rot. Bonds5

About 1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea

1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea (PubChem CID 84587604) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea
PubChem CID84587604
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea
SMILESO=C(NCc1cc(F)cc(Br)c1)NC1(CCO)CCC1
InChIInChI=1S/C14H18BrFN2O2/c15-11-6-10(7-12(16)8-11)9-17-13(20)18-14(4-5-19)2-1-3-14/h6-8,19H,1-5,9H2,(H2,17,18,20)
InChIKeyUUIWCUGVZLXYEA-UHFFFAOYSA-N
XLogP2.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]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

US20250002452, Example 12
CID 169150596
US20250002452, Example 17
CID 169150632
US20250002452, Example 44
CID 169150652
1-[(5-Bromo-2-methylphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 99824131
1-[(4-Bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea
CID 99824396
1-[(3-Bromophenyl)methyl]-3-[2-methyl-3-(trifluoromethyl)cyclobut-2-en-1-yl]urea;methanol
CID 169150531
1-[1-(3-Bromophenyl)-2-hydroxyethyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea
CID 169150603
1-[1-(3-Bromophenyl)-2-hydroxyethyl]-3-[3-(trifluoromethyl)but-3-enyl]urea
CID 169150618
1-[(3-Bromophenyl)methyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea;methanol
CID 169150643
1-[(3-Bromophenyl)methyl]-3-[3-(trifluoromethyl)but-3-enyl]urea;methanol
CID 169150648
1-[1-(3-Bromophenyl)-2-hydroxyethyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea
CID 169767310
1-[1-(3-Bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea
CID 169767501

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea (CID 84587604) is 1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea is O=C(NCc1cc(F)cc(Br)c1)NC1(CCO)CCC1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea?
The InChIKey is UUIWCUGVZLXYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c15-11-6-10(7-12(16)8-11)9-17-13(20)18-14(4-5-19)2-1-3-14/h6-8,19H,1-5,9H2,(H2,17,18,20).
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea?
1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea has a molecular weight of 345.21 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea is sourced from PubChem (CID 84587604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).