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

C9H9Cl2N3O — CID 168532506

IUPAC[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
SMILESCc1cc(C=NNC(N)=O)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N3O/c1-5-2-6(4-13-14-9(12)15)8(11)3-7(5)10/h2-4H,1H3,(H3,12,14,15)
InChIKeyRDMXPQCXTLSHAL-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.30
Rot. Bonds2

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

[(2,4-dichloro-5-methylphenyl)methylideneamino]urea (PubChem CID 168532506) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is [(2,4-dichloro-5-methylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
PubChem CID168532506
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
SMILESCc1cc(C=NNC(N)=O)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N3O/c1-5-2-6(4-13-14-9(12)15)8(11)3-7(5)10/h2-4H,1H3,(H3,12,14,15)
InChIKeyRDMXPQCXTLSHAL-UHFFFAOYSA-N
XLogP2.30
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.30
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)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[(2,4-difluoro-5-methylphenyl)methylideneamino]urea
CID 168532545
[(4-bromo-2-chlorophenyl)methylideneamino]urea
CID 137318192
[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea
CID 168533720
[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea
CID 121013846
[(4-chloro-2-fluoro-5-methylphenyl)methylideneamino]thiourea
CID 168536053
2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide
CID 168533326
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea
CID 168533781

Frequently Asked Questions

What is the IUPAC name of [(2,4-dichloro-5-methylphenyl)methylideneamino]urea?
The IUPAC name of [(2,4-dichloro-5-methylphenyl)methylideneamino]urea (CID 168532506) is [(2,4-dichloro-5-methylphenyl)methylideneamino]urea.
What is the SMILES notation for [(2,4-dichloro-5-methylphenyl)methylideneamino]urea?
The canonical SMILES for [(2,4-dichloro-5-methylphenyl)methylideneamino]urea is Cc1cc(C=NNC(N)=O)c(Cl)cc1Cl.
What is the InChIKey of [(2,4-dichloro-5-methylphenyl)methylideneamino]urea?
The InChIKey is RDMXPQCXTLSHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/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-dichloro-5-methylphenyl)methylideneamino]urea?
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea has a molecular weight of 246.10 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dichloro-5-methylphenyl)methylideneamino]urea is sourced from PubChem (CID 168532506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).