[(6-bromo-2,3-difluorophenyl)methylideneamino]urea

C8H6BrF2N3O — CID 168531753

IUPAC[(6-bromo-2,3-difluorophenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1c(Br)ccc(F)c1F
InChIInChI=1S/C8H6BrF2N3O/c9-5-1-2-6(10)7(11)4(5)3-13-14-8(12)15/h1-3H,(H3,12,14,15)
InChIKeyJAZBADYCVQITIJ-UHFFFAOYSA-N
MW278.06 g/mol
LogP1.73
Rot. Bonds2

About [(6-bromo-2,3-difluorophenyl)methylideneamino]urea

[(6-bromo-2,3-difluorophenyl)methylideneamino]urea (PubChem CID 168531753) has the molecular formula C8H6BrF2N3O and a molecular weight of 278.06 g/mol. Its IUPAC name is [(6-bromo-2,3-difluorophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(6-bromo-2,3-difluorophenyl)methylideneamino]urea
PubChem CID168531753
Molecular FormulaC8H6BrF2N3O
Molecular Weight278.06 g/mol
Exact Mass276.97
IUPAC Name[(6-bromo-2,3-difluorophenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1c(Br)ccc(F)c1F
InChIInChI=1S/C8H6BrF2N3O/c9-5-1-2-6(10)7(11)4(5)3-13-14-8(12)15/h1-3H,(H3,12,14,15)
InChIKeyJAZBADYCVQITIJ-UHFFFAOYSA-N
XLogP1.73
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2,3,6-trifluorophenyl)methylideneamino]urea
CID 168531688
[[6-bromo-2-fluoro-3-(trifluoromethoxy)phenyl]methylideneamino]urea
CID 168531916
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
[(3-chloro-2,4-difluorophenyl)methylideneamino]urea
CID 168531838
[(3-bromo-4-chloro-2-fluorophenyl)methylideneamino]urea
CID 168533678
[(2-bromo-5-fluoro-4-iodophenyl)methylideneamino]urea
CID 168534076
[(2,3,6-trifluorophenyl)methylideneamino]thiourea
CID 168534157
[(6-bromo-2-fluoro-3-methoxyphenyl)methylideneamino]thiourea
CID 168536111
[[2,4-difluoro-3-(trifluoromethoxy)phenyl]methylideneamino]urea
CID 168533588
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[[4-(bromomethyl)-2-fluorophenyl]methylideneamino]urea
CID 168533942

Frequently Asked Questions

What is the IUPAC name of [(6-bromo-2,3-difluorophenyl)methylideneamino]urea?
The IUPAC name of [(6-bromo-2,3-difluorophenyl)methylideneamino]urea (CID 168531753) is [(6-bromo-2,3-difluorophenyl)methylideneamino]urea.
What is the SMILES notation for [(6-bromo-2,3-difluorophenyl)methylideneamino]urea?
The canonical SMILES for [(6-bromo-2,3-difluorophenyl)methylideneamino]urea is NC(=O)NN=Cc1c(Br)ccc(F)c1F.
What is the InChIKey of [(6-bromo-2,3-difluorophenyl)methylideneamino]urea?
The InChIKey is JAZBADYCVQITIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3O/c9-5-1-2-6(10)7(11)4(5)3-13-14-8(12)15/h1-3H,(H3,12,14,15).
What are the key properties of [(6-bromo-2,3-difluorophenyl)methylideneamino]urea?
[(6-bromo-2,3-difluorophenyl)methylideneamino]urea has a molecular weight of 278.06 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-bromo-2,3-difluorophenyl)methylideneamino]urea is sourced from PubChem (CID 168531753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).