1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea

C15H15BrClN3O2 — CID 108882467

IUPAC1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea
SMILESO=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccccn1
InChIInChI=1S/C15H15BrClN3O2/c16-11-5-6-13(12(17)10-11)22-9-3-8-19-15(21)20-14-4-1-2-7-18-14/h1-2,4-7,10H,3,8-9H2,(H2,18,19,20,21)
InChIKeyLTDWEBFFVMTXPV-UHFFFAOYSA-N
MW384.66 g/mol
LogP4.09
Rot. Bonds6

About 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea

1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea (PubChem CID 108882467) has the molecular formula C15H15BrClN3O2 and a molecular weight of 384.66 g/mol. Its IUPAC name is 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea
PubChem CID108882467
Molecular FormulaC15H15BrClN3O2
Molecular Weight384.66 g/mol
Exact Mass383.00
IUPAC Name1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea
SMILESO=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccccn1
InChIInChI=1S/C15H15BrClN3O2/c16-11-5-6-13(12(17)10-11)22-9-3-8-19-15(21)20-14-4-1-2-7-18-14/h1-2,4-7,10H,3,8-9H2,(H2,18,19,20,21)
InChIKeyLTDWEBFFVMTXPV-UHFFFAOYSA-N
XLogP4.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea 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-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(3-methyl-2-pyridinyl)urea
CID 108882569
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(3-chlorophenyl)urea
CID 108882394
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-methylurea
CID 108882470
N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
CID 108882534
4-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]benzoic acid
CID 108882294
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(4-propan-2-ylphenyl)urea
CID 108882287
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108882483
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-[(4-fluorophenyl)methyl]urea
CID 108882522
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108882550
1-benzyl-3-[3-(4-bromo-2-chlorophenoxy)propyl]-1-phenylurea
CID 108882491
1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea
CID 108894672
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108882485

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea (CID 108882467) is 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea is O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccccn1.
What is the InChIKey of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea?
The InChIKey is LTDWEBFFVMTXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O2/c16-11-5-6-13(12(17)10-11)22-9-3-8-19-15(21)20-14-4-1-2-7-18-14/h1-2,4-7,10H,3,8-9H2,(H2,18,19,20,21).
What are the key properties of 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea?
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea has a molecular weight of 384.66 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 108882467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).