1-(3,5-dibromophenyl)-3-phenylurea

C13H10Br2N2O — CID 25129837

IUPAC1-(3,5-dibromophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C13H10Br2N2O/c14-9-6-10(15)8-12(7-9)17-13(18)16-11-4-2-1-3-5-11/h1-8H,(H2,16,17,18)
InChIKeyATLUFNAETXCIGU-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.86
Rot. Bonds2

About 1-(3,5-dibromophenyl)-3-phenylurea

1-(3,5-dibromophenyl)-3-phenylurea (PubChem CID 25129837) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-3-phenylurea
PubChem CID25129837
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name1-(3,5-dibromophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C13H10Br2N2O/c14-9-6-10(15)8-12(7-9)17-13(18)16-11-4-2-1-3-5-11/h1-8H,(H2,16,17,18)
InChIKeyATLUFNAETXCIGU-UHFFFAOYSA-N
XLogP4.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromo-6-methylphenyl)-3-phenylurea
CID 4558595
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea
CID 113050107
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 55832366
1-(2-bromo-5-methylphenyl)-3-phenylurea
CID 82707314
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673
methyl 5-bromo-2-(phenylcarbamoylamino)benzoate
CID 939786

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-3-phenylurea?
The IUPAC name of 1-(3,5-dibromophenyl)-3-phenylurea (CID 25129837) is 1-(3,5-dibromophenyl)-3-phenylurea.
What is the SMILES notation for 1-(3,5-dibromophenyl)-3-phenylurea?
The canonical SMILES for 1-(3,5-dibromophenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-3-phenylurea?
The InChIKey is ATLUFNAETXCIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c14-9-6-10(15)8-12(7-9)17-13(18)16-11-4-2-1-3-5-11/h1-8H,(H2,16,17,18).
What are the key properties of 1-(3,5-dibromophenyl)-3-phenylurea?
1-(3,5-dibromophenyl)-3-phenylurea has a molecular weight of 370.04 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-3-phenylurea is sourced from PubChem (CID 25129837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).