[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea

C9H10FN3O — CID 63318884

IUPAC[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
SMILESCc1cc(/C=N/NC(N)=O)ccc1F
InChIInChI=1S/C9H10FN3O/c1-6-4-7(2-3-8(6)10)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14)/b12-5+
InChIKeyMEDMHEOGFAUKAR-LFYBBSHMSA-N
MW195.20 g/mol
LogP1.14
Rot. Bonds2

About [(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea

[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea (PubChem CID 63318884) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is [(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
PubChem CID63318884
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
SMILESCc1cc(/C=N/NC(N)=O)ccc1F
InChIInChI=1S/C9H10FN3O/c1-6-4-7(2-3-8(6)10)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14)/b12-5+
InChIKeyMEDMHEOGFAUKAR-LFYBBSHMSA-N
XLogP1.14
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.14
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

[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]urea
CID 168533556
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(2,4-difluoro-5-methylphenyl)methylideneamino]urea
CID 168532545
[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
[[3-fluoro-4-(4-fluorophenoxy)phenyl]methylideneamino]urea
CID 54483879
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[[3,5-difluoro-4-(trifluoromethyl)phenyl]methylideneamino]urea
CID 168533259
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621
[[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea
CID 168532203
[[3-methyl-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 168531957

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea (CID 63318884) is [(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea is Cc1cc(/C=N/NC(N)=O)ccc1F.
What is the InChIKey of [(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea?
The InChIKey is MEDMHEOGFAUKAR-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H10FN3O/c1-6-4-7(2-3-8(6)10)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14)/b12-5+.
What are the key properties of [(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea?
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea has a molecular weight of 195.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea is sourced from PubChem (CID 63318884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).