(2,4,6-tribromophenyl)urea

C7H5Br3N2O — CID 28991940

IUPAC(2,4,6-tribromophenyl)urea
SMILESNC(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C7H5Br3N2O/c8-3-1-4(9)6(5(10)2-3)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyJABLEDMKPFSPJU-UHFFFAOYSA-N
MW372.84 g/mol
LogP3.46
Rot. Bonds1

About (2,4,6-tribromophenyl)urea

(2,4,6-tribromophenyl)urea (PubChem CID 28991940) has the molecular formula C7H5Br3N2O and a molecular weight of 372.84 g/mol. Its IUPAC name is (2,4,6-tribromophenyl)urea.

Molecular Properties

Compound Name(2,4,6-tribromophenyl)urea
PubChem CID28991940
Molecular FormulaC7H5Br3N2O
Molecular Weight372.84 g/mol
Exact Mass369.80
IUPAC Name(2,4,6-tribromophenyl)urea
SMILESNC(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C7H5Br3N2O/c8-3-1-4(9)6(5(10)2-3)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyJABLEDMKPFSPJU-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(2,4,6-tribromophenyl)oxamide
CID 89438715
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
(2-bromo-6-fluoro-4-methylphenyl)urea
CID 141173640
phosphoric acid;(2,4,6-tribromophenyl)hydrazine
CID 138620212
4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide
CID 101287009
(4-bromophenyl)urea
CID 16074
(2,4-dibromo-6-methoxyphenyl)thiourea
CID 138682629
2-methoxy-2-methyl-N-(2,4,6-tribromophenyl)propanamide
CID 103028807
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
CID 107568149
[2-oxo-2-(2,4,6-tribromoanilino)ethyl] carbamimidothioate;hydrochloride
CID 44783898
4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
CID 80536593

Frequently Asked Questions

What is the IUPAC name of (2,4,6-tribromophenyl)urea?
The IUPAC name of (2,4,6-tribromophenyl)urea (CID 28991940) is (2,4,6-tribromophenyl)urea.
What is the SMILES notation for (2,4,6-tribromophenyl)urea?
The canonical SMILES for (2,4,6-tribromophenyl)urea is NC(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of (2,4,6-tribromophenyl)urea?
The InChIKey is JABLEDMKPFSPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br3N2O/c8-3-1-4(9)6(5(10)2-3)12-7(11)13/h1-2H,(H3,11,12,13).
What are the key properties of (2,4,6-tribromophenyl)urea?
(2,4,6-tribromophenyl)urea has a molecular weight of 372.84 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-tribromophenyl)urea is sourced from PubChem (CID 28991940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).