1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea

C14H11BrClFN2O — CID 3672060

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea
SMILESO=C(NCc1cc(Br)ccc1F)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClFN2O/c15-10-1-6-13(17)9(7-10)8-18-14(20)19-12-4-2-11(16)3-5-12/h1-7H,8H2,(H2,18,19,20)
InChIKeyDHADDIOHUPZSGZ-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.56
Rot. Bonds3

About 1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea

1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea (PubChem CID 3672060) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea
PubChem CID3672060
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea
SMILESO=C(NCc1cc(Br)ccc1F)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClFN2O/c15-10-1-6-13(17)9(7-10)8-18-14(20)19-12-4-2-11(16)3-5-12/h1-7H,8H2,(H2,18,19,20)
InChIKeyDHADDIOHUPZSGZ-UHFFFAOYSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea (CID 3672060) is 1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea is O=C(NCc1cc(Br)ccc1F)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea?
The InChIKey is DHADDIOHUPZSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c15-10-1-6-13(17)9(7-10)8-18-14(20)19-12-4-2-11(16)3-5-12/h1-7H,8H2,(H2,18,19,20).
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea?
1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea has a molecular weight of 357.61 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 3672060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).