[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea

C9H10ClN3O — CID 103846300

IUPAC[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
SMILESCc1cc(Cl)ccc1/C=N/NC(N)=O
InChIInChI=1S/C9H10ClN3O/c1-6-4-8(10)3-2-7(6)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14)/b12-5+
InChIKeyKMZYNHJUQLZUHJ-LFYBBSHMSA-N
MW211.65 g/mol
LogP1.65
Rot. Bonds2

About [(E)-(4-chloro-2-methylphenyl)methylideneamino]urea

[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea (PubChem CID 103846300) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is [(E)-(4-chloro-2-methylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
PubChem CID103846300
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
SMILESCc1cc(Cl)ccc1/C=N/NC(N)=O
InChIInChI=1S/C9H10ClN3O/c1-6-4-8(10)3-2-7(6)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14)/b12-5+
InChIKeyKMZYNHJUQLZUHJ-LFYBBSHMSA-N
XLogP1.65
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.65
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

[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506
[(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea
CID 6287661
[(3-chloro-2,4-difluorophenyl)methylideneamino]urea
CID 168531838
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
[(2,4-difluoro-5-methylphenyl)methylideneamino]urea
CID 168532545
[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
[(4-bromo-2-chlorophenyl)methylideneamino]urea
CID 137318192
[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea
CID 168533720

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-chloro-2-methylphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(4-chloro-2-methylphenyl)methylideneamino]urea (CID 103846300) is [(E)-(4-chloro-2-methylphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(4-chloro-2-methylphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(4-chloro-2-methylphenyl)methylideneamino]urea is Cc1cc(Cl)ccc1/C=N/NC(N)=O.
What is the InChIKey of [(E)-(4-chloro-2-methylphenyl)methylideneamino]urea?
The InChIKey is KMZYNHJUQLZUHJ-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-6-4-8(10)3-2-7(6)5-12-13-9(11)14/h2-5H,1H3,(H3,11,13,14)/b12-5+.
What are the key properties of [(E)-(4-chloro-2-methylphenyl)methylideneamino]urea?
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea has a molecular weight of 211.65 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-chloro-2-methylphenyl)methylideneamino]urea is sourced from PubChem (CID 103846300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).