1-(4-bromo-2-fluorophenyl)-3-phenylurea

C13H10BrFN2O — CID 897521

IUPAC1-(4-bromo-2-fluorophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H10BrFN2O/c14-9-6-7-12(11(15)8-9)17-13(18)16-10-4-2-1-3-5-10/h1-8H,(H2,16,17,18)
InChIKeyURVNQAKFEJMNHO-UHFFFAOYSA-N
MW309.14 g/mol
LogP4.23
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-3-phenylurea

1-(4-bromo-2-fluorophenyl)-3-phenylurea (PubChem CID 897521) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-phenylurea
PubChem CID897521
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H10BrFN2O/c14-9-6-7-12(11(15)8-9)17-13(18)16-10-4-2-1-3-5-10/h1-8H,(H2,16,17,18)
InChIKeyURVNQAKFEJMNHO-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-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
CID 897820
1-(3-aminophenyl)-3-(4-bromo-2-fluorophenyl)urea
CID 29283371
4-[(4-bromophenyl)carbamoylamino]-3-fluorobenzoic acid
CID 63190194
N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide
CID 2985483
1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392821
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide
CID 43246939
methyl 5-bromo-2-(phenylcarbamoylamino)benzoate
CID 939786
5-[[(4-bromo-2-fluorophenyl)carbamoylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 53100155
N-(4-bromo-2-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956612
1-(3,5-dibromophenyl)-3-phenylurea
CID 25129837

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-phenylurea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-phenylurea (CID 897521) is 1-(4-bromo-2-fluorophenyl)-3-phenylurea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-phenylurea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-phenylurea?
The InChIKey is URVNQAKFEJMNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c14-9-6-7-12(11(15)8-9)17-13(18)16-10-4-2-1-3-5-10/h1-8H,(H2,16,17,18).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-phenylurea?
1-(4-bromo-2-fluorophenyl)-3-phenylurea 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-(4-bromo-2-fluorophenyl)-3-phenylurea is sourced from PubChem (CID 897521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).