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

C13H9Br2FN2O — CID 46859941

IUPAC1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H9Br2FN2O/c14-8-2-1-3-10(6-8)17-13(19)18-12-5-4-9(15)7-11(12)16/h1-7H,(H2,17,18,19)
InChIKeyFKYMGXBURYMBAW-UHFFFAOYSA-N
MW388.03 g/mol
LogP4.99
Rot. Bonds2

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

1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea (PubChem CID 46859941) has the molecular formula C13H9Br2FN2O and a molecular weight of 388.03 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
PubChem CID46859941
Molecular FormulaC13H9Br2FN2O
Molecular Weight388.03 g/mol
Exact Mass385.91
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H9Br2FN2O/c14-8-2-1-3-10(6-8)17-13(19)18-12-5-4-9(15)7-11(12)16/h1-7H,(H2,17,18,19)
InChIKeyFKYMGXBURYMBAW-UHFFFAOYSA-N
XLogP4.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
1-(3-aminophenyl)-3-(4-bromo-2-fluorophenyl)urea
CID 29283371
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
CID 897820
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea
CID 156854728
1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
CID 61345864
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
2-[(3-bromophenyl)carbamoylamino]-4-fluorobenzoic acid
CID 61189999
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
CID 6464794

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea (CID 46859941) is 1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea is O=C(Nc1cccc(Br)c1)Nc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea?
The InChIKey is FKYMGXBURYMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O/c14-8-2-1-3-10(6-8)17-13(19)18-12-5-4-9(15)7-11(12)16/h1-7H,(H2,17,18,19).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea?
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea has a molecular weight of 388.03 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea is sourced from PubChem (CID 46859941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).