[(E)-(4-bromophenyl)methylideneamino]urea

C8H8BrN3O — CID 6907479

IUPAC[(E)-(4-bromophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C8H8BrN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+
InChIKeyHSXITYGMCRTGJH-VZUCSPMQSA-N
MW242.08 g/mol
LogP1.45
Rot. Bonds2

About [(E)-(4-bromophenyl)methylideneamino]urea

[(E)-(4-bromophenyl)methylideneamino]urea (PubChem CID 6907479) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is [(E)-(4-bromophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(4-bromophenyl)methylideneamino]urea
PubChem CID6907479
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name[(E)-(4-bromophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C8H8BrN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+
InChIKeyHSXITYGMCRTGJH-VZUCSPMQSA-N
XLogP1.45
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Bromobenzaldehyde thiosemicarbazone
CID 7695054
4-Bromobenzaldehyde thiosemicarbazone
CID 6896171
Benzaldehyde semicarbazone
CID 6861419
4-Methylbenzaldehyde semicarbazone
CID 5705538
N',2-bis(4-bromobenzylidene)hydrazinecarboximidohydrazide hydrochloride
CID 5344786
tert-butyl (2E)-2-(4-bromobenzylidene)hydrazinecarboxylate
CID 6870647
[(E)-(4-bromo-2-fluoro-phenyl)methyleneamino]thiourea
CID 53232136
2-[(E)-(4-bromophenyl)methylideneamino]guanidine;hydrochloride
CID 56642875
1,3-bis[(E)-(4-bromophenyl)methyleneamino]urea
CID 9571579
(E)-1-(4-fluorobenzylidene)semicarbazide
CID 9645690
[(4-Methylphenyl)methylideneamino]urea
CID 346535
1-[(E)-(4-bromophenyl)methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
CID 23661710

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-bromophenyl)methylideneamino]urea?
The IUPAC name of [(E)-(4-bromophenyl)methylideneamino]urea (CID 6907479) is [(E)-(4-bromophenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(4-bromophenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(4-bromophenyl)methylideneamino]urea is NC(=O)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of [(E)-(4-bromophenyl)methylideneamino]urea?
The InChIKey is HSXITYGMCRTGJH-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+.
What are the key properties of [(E)-(4-bromophenyl)methylideneamino]urea?
[(E)-(4-bromophenyl)methylideneamino]urea has a molecular weight of 242.08 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-bromophenyl)methylideneamino]urea is sourced from PubChem (CID 6907479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).