1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea

C13H9Br2N3O4 — CID 22011336

IUPAC1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H9Br2N3O4/c14-7-1-3-10(9(15)5-7)16-13(20)17-11-4-2-8(18(21)22)6-12(11)19/h1-6,19H,(H2,16,17,20)
InChIKeyMGOABCWEOZZCDP-UHFFFAOYSA-N
MW431.04 g/mol
LogP4.47
Rot. Bonds3

About 1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea

1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea (PubChem CID 22011336) has the molecular formula C13H9Br2N3O4 and a molecular weight of 431.04 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
PubChem CID22011336
Molecular FormulaC13H9Br2N3O4
Molecular Weight431.04 g/mol
Exact Mass428.90
IUPAC Name1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H9Br2N3O4/c14-7-1-3-10(9(15)5-7)16-13(20)17-11-4-2-8(18(21)22)6-12(11)19/h1-6,19H,(H2,16,17,20)
InChIKeyMGOABCWEOZZCDP-UHFFFAOYSA-N
XLogP4.47
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.04
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Sb 225002
CID 3854666
1-(2-Hydroxy-4-nitrophenyl)-3-phenylurea
CID 3618472
3-(2-Bromoanilino)-4-(2-hydroxy-4-nitroanilino)-3-cyclobutene-1,2-dione
CID 10179343
1-(2-Bromophenyl)-2-heptan-2-yl-3-(2-hydroxy-4-nitrophenyl)guanidine
CID 44534274
N-(2-hydroxy-4-nitrophenyl)-N'-(2-fluorophenyl)urea
CID 21184605
1-(3,4-Difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 46226805
1-(2-Hydroxy-4-nitrophenyl)-3-(3,4,5-trifluorophenyl)urea
CID 46226827
1-(2-Hydroxy-4-nitrophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 46226843
1-(2-Hydroxy-4-nitrophenyl)-3-(2,4,5-trifluorophenyl)urea
CID 46226866
1-(2-Bromophenyl)-3-(2-hydroxyphenyl)urea
CID 21184748
1-(2,4-Difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 46226786
1-(2-Hydroxy-4-nitrophenyl)-3-(2,4,6-trifluorophenyl)urea
CID 46226828

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
The IUPAC name of 1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea (CID 22011336) is 1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea.
What is the SMILES notation for 1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
The canonical SMILES for 1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea is O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
The InChIKey is MGOABCWEOZZCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3O4/c14-7-1-3-10(9(15)5-7)16-13(20)17-11-4-2-8(18(21)22)6-12(11)19/h1-6,19H,(H2,16,17,20).
What are the key properties of 1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea has a molecular weight of 431.04 g/mol, XLogP of 4.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea is sourced from PubChem (CID 22011336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).