mercury;(N-phenylanilino)urea

C13H13HgN3O — CID 175145706

IUPACmercury;(N-phenylanilino)urea
SMILESNC(=O)NN(c1ccccc1)c1ccccc1.[Hg]
InChIInChI=1S/C13H13N3O.Hg/c14-13(17)15-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H3,14,15,17);
InChIKeyAUMKEEYJQLKSCY-UHFFFAOYSA-N
MW427.86 g/mol
LogP2.41
Rot. Bonds3

About mercury;(N-phenylanilino)urea

mercury;(N-phenylanilino)urea (PubChem CID 175145706) has the molecular formula C13H13HgN3O and a molecular weight of 427.86 g/mol. Its IUPAC name is mercury;(N-phenylanilino)urea.

Molecular Properties

Compound Namemercury;(N-phenylanilino)urea
PubChem CID175145706
Molecular FormulaC13H13HgN3O
Molecular Weight427.86 g/mol
Exact Mass429.08
IUPAC Namemercury;(N-phenylanilino)urea
SMILESNC(=O)NN(c1ccccc1)c1ccccc1.[Hg]
InChIInChI=1S/C13H13N3O.Hg/c14-13(17)15-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H3,14,15,17);
InChIKeyAUMKEEYJQLKSCY-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.86
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(N-(3-hydroxyphenyl)anilino)urea
CID 54130372
1-hydroxy-3-(N-phenylanilino)urea
CID 23526175
benzyl N-(N-phenylanilino)carbamate
CID 71360694
1-N',1-N',10-N',10-N'-tetraphenyldecanedihydrazide
CID 175049225
4-[(N-phenylanilino)carbamoyl]benzoic acid
CID 154425336
N',N'-diphenyl-3-sulfanylpropanehydrazide
CID 57182310
1,1-diphenylurea
CID 174849888
(2Z)-2-amino-2-hydroxyimino-N,N-diphenylacetamide
CID 53275051
carbonic acid;1,1,2-triphenylhydrazine
CID 160785821
N'-(4-anilinophenyl)-N'-phenylbenzohydrazide
CID 21276074
1-(4-chlorophenyl)-3-(N-phenylanilino)urea
CID 4149546
(N-(2,2-diphenylhydrazinyl)anilino)benzene
CID 91743548

Frequently Asked Questions

What is the IUPAC name of mercury;(N-phenylanilino)urea?
The IUPAC name of mercury;(N-phenylanilino)urea (CID 175145706) is mercury;(N-phenylanilino)urea.
What is the SMILES notation for mercury;(N-phenylanilino)urea?
The canonical SMILES for mercury;(N-phenylanilino)urea is NC(=O)NN(c1ccccc1)c1ccccc1.[Hg].
What is the InChIKey of mercury;(N-phenylanilino)urea?
The InChIKey is AUMKEEYJQLKSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.Hg/c14-13(17)15-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H3,14,15,17);.
What are the key properties of mercury;(N-phenylanilino)urea?
mercury;(N-phenylanilino)urea has a molecular weight of 427.86 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for mercury;(N-phenylanilino)urea is sourced from PubChem (CID 175145706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).