[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea

C9H10FN3O — CID 103942661

IUPAC[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
SMILESCc1ccc(F)cc1/C=N/NC(N)=O
InChIInChI=1S/C9H10FN3O/c1-6-2-3-8(10)4-7(6)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14)/b12-5+
InChIKeyQIHPIBIABGBROZ-LFYBBSHMSA-N
MW195.20 g/mol
LogP1.14
Rot. Bonds2

About [(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea

[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea (PubChem CID 103942661) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is [(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
PubChem CID103942661
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
SMILESCc1ccc(F)cc1/C=N/NC(N)=O
InChIInChI=1S/C9H10FN3O/c1-6-2-3-8(10)4-7(6)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14)/b12-5+
InChIKeyQIHPIBIABGBROZ-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

[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea
CID 121013846
[(2,4-difluoro-5-methylphenyl)methylideneamino]urea
CID 168532545
[[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea
CID 168534079
[[2-(bromomethyl)-4-fluorophenyl]methylideneamino]urea
CID 168533953
(NE)-N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 56776472
N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 73014313
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
[[4-fluoro-2-(2-phenylethynyl)phenyl]methylideneamino]urea
CID 168533519
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506

Frequently Asked Questions

What is the IUPAC name of [(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea (CID 103942661) is [(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea is Cc1ccc(F)cc1/C=N/NC(N)=O.
What is the InChIKey of [(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea?
The InChIKey is QIHPIBIABGBROZ-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H10FN3O/c1-6-2-3-8(10)4-7(6)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14)/b12-5+.
What are the key properties of [(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea?
[(E)-(5-fluoro-2-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)-(5-fluoro-2-methylphenyl)methylideneamino]urea is sourced from PubChem (CID 103942661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).