[(2,4-difluoro-5-methylphenyl)methylideneamino]urea

C9H9F2N3O — CID 168532545

IUPAC[(2,4-difluoro-5-methylphenyl)methylideneamino]urea
SMILESCc1cc(C=NNC(N)=O)c(F)cc1F
InChIInChI=1S/C9H9F2N3O/c1-5-2-6(4-13-14-9(12)15)8(11)3-7(5)10/h2-4H,1H3,(H3,12,14,15)
InChIKeyKIHPSOUNDOQXTG-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.28
Rot. Bonds2

About [(2,4-difluoro-5-methylphenyl)methylideneamino]urea

[(2,4-difluoro-5-methylphenyl)methylideneamino]urea (PubChem CID 168532545) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is [(2,4-difluoro-5-methylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(2,4-difluoro-5-methylphenyl)methylideneamino]urea
PubChem CID168532545
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name[(2,4-difluoro-5-methylphenyl)methylideneamino]urea
SMILESCc1cc(C=NNC(N)=O)c(F)cc1F
InChIInChI=1S/C9H9F2N3O/c1-5-2-6(4-13-14-9(12)15)8(11)3-7(5)10/h2-4H,1H3,(H3,12,14,15)
InChIKeyKIHPSOUNDOQXTG-UHFFFAOYSA-N
XLogP1.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.28
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

[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea
CID 168534018
[(4-chloro-2-fluoro-5-methylphenyl)methylideneamino]thiourea
CID 168536053
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
[[4-(bromomethyl)-2-fluorophenyl]methylideneamino]urea
CID 168533942
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
[(2-bromo-5-fluoro-4-iodophenyl)methylideneamino]urea
CID 168534076
tert-butyl 4-[(carbamoylhydrazinylidene)methyl]-3-fluorobenzoate
CID 168533667
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835

Frequently Asked Questions

What is the IUPAC name of [(2,4-difluoro-5-methylphenyl)methylideneamino]urea?
The IUPAC name of [(2,4-difluoro-5-methylphenyl)methylideneamino]urea (CID 168532545) is [(2,4-difluoro-5-methylphenyl)methylideneamino]urea.
What is the SMILES notation for [(2,4-difluoro-5-methylphenyl)methylideneamino]urea?
The canonical SMILES for [(2,4-difluoro-5-methylphenyl)methylideneamino]urea is Cc1cc(C=NNC(N)=O)c(F)cc1F.
What is the InChIKey of [(2,4-difluoro-5-methylphenyl)methylideneamino]urea?
The InChIKey is KIHPSOUNDOQXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-5-2-6(4-13-14-9(12)15)8(11)3-7(5)10/h2-4H,1H3,(H3,12,14,15).
What are the key properties of [(2,4-difluoro-5-methylphenyl)methylideneamino]urea?
[(2,4-difluoro-5-methylphenyl)methylideneamino]urea has a molecular weight of 213.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-difluoro-5-methylphenyl)methylideneamino]urea is sourced from PubChem (CID 168532545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).