1-(2-bromophenyl)-3-(4-fluorophenyl)urea

C13H10BrFN2O — CID 835097

IUPAC1-(2-bromophenyl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccccc1Br
InChIInChI=1S/C13H10BrFN2O/c14-11-3-1-2-4-12(11)17-13(18)16-10-7-5-9(15)6-8-10/h1-8H,(H2,16,17,18)
InChIKeyJVOCHXLDMUBEIB-UHFFFAOYSA-N
MW309.14 g/mol
LogP4.23
Rot. Bonds2

About 1-(2-bromophenyl)-3-(4-fluorophenyl)urea

1-(2-bromophenyl)-3-(4-fluorophenyl)urea (PubChem CID 835097) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-fluorophenyl)urea
PubChem CID835097
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name1-(2-bromophenyl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccccc1Br
InChIInChI=1S/C13H10BrFN2O/c14-11-3-1-2-4-12(11)17-13(18)16-10-7-5-9(15)6-8-10/h1-8H,(H2,16,17,18)
InChIKeyJVOCHXLDMUBEIB-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromoanilino)-3-(4-fluorophenyl)urea
CID 17482426
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea
CID 22011338
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 61497811
1-(4-bromo-2,5-difluorophenyl)-3-(4-fluorophenyl)urea
CID 107612564
2-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 90271537
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
3-bromo-2-[(4-fluorophenyl)carbamoylamino]benzoic acid
CID 63112803
N-benzyl-4-[(2-bromophenyl)carbamoylamino]benzamide
CID 70124563
1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea
CID 43508295
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(4-fluorophenyl)urea (CID 835097) is 1-(2-bromophenyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-fluorophenyl)urea?
The InChIKey is JVOCHXLDMUBEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c14-11-3-1-2-4-12(11)17-13(18)16-10-7-5-9(15)6-8-10/h1-8H,(H2,16,17,18).
What are the key properties of 1-(2-bromophenyl)-3-(4-fluorophenyl)urea?
1-(2-bromophenyl)-3-(4-fluorophenyl)urea has a molecular weight of 309.14 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 835097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).