1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea

C15H13BrClFN2O2 — CID 3509007

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrClFN2O2/c1-22-14-5-3-11(17)7-13(14)20-15(21)19-8-9-6-10(16)2-4-12(9)18/h2-7H,8H2,1H3,(H2,19,20,21)
InChIKeyUTUMBZTUMSHFGX-UHFFFAOYSA-N
MW387.64 g/mol
LogP4.57
Rot. Bonds4

About 1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea

1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea (PubChem CID 3509007) has the molecular formula C15H13BrClFN2O2 and a molecular weight of 387.64 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea
PubChem CID3509007
Molecular FormulaC15H13BrClFN2O2
Molecular Weight387.64 g/mol
Exact Mass385.98
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrClFN2O2/c1-22-14-5-3-11(17)7-13(14)20-15(21)19-8-9-6-10(16)2-4-12(9)18/h2-7H,8H2,1H3,(H2,19,20,21)
InChIKeyUTUMBZTUMSHFGX-UHFFFAOYSA-N
XLogP4.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.64
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea (CID 3509007) is 1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea is COc1ccc(Cl)cc1NC(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea?
The InChIKey is UTUMBZTUMSHFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O2/c1-22-14-5-3-11(17)7-13(14)20-15(21)19-8-9-6-10(16)2-4-12(9)18/h2-7H,8H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea?
1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea has a molecular weight of 387.64 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)urea is sourced from PubChem (CID 3509007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).