[(E)-(2,3-difluorophenyl)methylideneamino]urea

C8H7F2N3O — CID 10012988

IUPAC[(E)-(2,3-difluorophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1cccc(F)c1F
InChIInChI=1S/C8H7F2N3O/c9-6-3-1-2-5(7(6)10)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+
InChIKeyIYKIMSQIJBCMKW-UUILKARUSA-N
MW199.16 g/mol
LogP0.97
Rot. Bonds2

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

[(E)-(2,3-difluorophenyl)methylideneamino]urea (PubChem CID 10012988) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is [(E)-(2,3-difluorophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(2,3-difluorophenyl)methylideneamino]urea
PubChem CID10012988
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name[(E)-(2,3-difluorophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1cccc(F)c1F
InChIInChI=1S/C8H7F2N3O/c9-6-3-1-2-5(7(6)10)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+
InChIKeyIYKIMSQIJBCMKW-UUILKARUSA-N
XLogP0.97
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.97
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

[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(3-chloro-2,4-difluorophenyl)methylideneamino]urea
CID 168531838
[(2,3,6-trifluorophenyl)methylideneamino]urea
CID 168531688
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[(6-bromo-2,3-difluorophenyl)methylideneamino]urea
CID 168531753
[(3-bromo-4-chloro-2-fluorophenyl)methylideneamino]urea
CID 168533678
2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide
CID 5392623
[4-[(carbamoylhydrazinylidene)methyl]-2,3-difluorophenyl]boronic acid
CID 168531850
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
[[2,4-difluoro-3-(trifluoromethoxy)phenyl]methylideneamino]urea
CID 168533588
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4924837
[[2,3-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]urea
CID 168533631

Frequently Asked Questions

What is the IUPAC name of [(E)-(2,3-difluorophenyl)methylideneamino]urea?
The IUPAC name of [(E)-(2,3-difluorophenyl)methylideneamino]urea (CID 10012988) is [(E)-(2,3-difluorophenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(2,3-difluorophenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(2,3-difluorophenyl)methylideneamino]urea is NC(=O)N/N=C/c1cccc(F)c1F.
What is the InChIKey of [(E)-(2,3-difluorophenyl)methylideneamino]urea?
The InChIKey is IYKIMSQIJBCMKW-UUILKARUSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-6-3-1-2-5(7(6)10)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+.
What are the key properties of [(E)-(2,3-difluorophenyl)methylideneamino]urea?
[(E)-(2,3-difluorophenyl)methylideneamino]urea has a molecular weight of 199.16 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2,3-difluorophenyl)methylideneamino]urea is sourced from PubChem (CID 10012988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).