[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea

C10H12ClN3O2 — CID 168533781

IUPAC[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea
SMILESCc1cc(O)c(C=NNC(N)=O)c(C)c1Cl
InChIInChI=1S/C10H12ClN3O2/c1-5-3-8(15)7(6(2)9(5)11)4-13-14-10(12)16/h3-4,15H,1-2H3,(H3,12,14,16)
InChIKeyFOWQCTINVYSCQM-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.66
Rot. Bonds2

About [(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea

[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea (PubChem CID 168533781) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is [(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea
PubChem CID168533781
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea
SMILESCc1cc(O)c(C=NNC(N)=O)c(C)c1Cl
InChIInChI=1S/C10H12ClN3O2/c1-5-3-8(15)7(6(2)9(5)11)4-13-14-10(12)16/h3-4,15H,1-2H3,(H3,12,14,16)
InChIKeyFOWQCTINVYSCQM-UHFFFAOYSA-N
XLogP1.66
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]-3,4-dihydroxy-5-methoxybenzamide
CID 137150625
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506
[[3-(hydroxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea
CID 3357309
[(Z)-(4-chloro-2,6-diiodophenyl)methylideneamino]urea
CID 154707892
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 5092533
[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 135679545
2-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]-1-(3,4-dihydroxyphenyl)ethanone
CID 149014518
[(10-chloroanthracen-9-yl)methylideneamino]urea
CID 3282620
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
[(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea
CID 6183392

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea?
The IUPAC name of [(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea (CID 168533781) is [(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea.
What is the SMILES notation for [(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea?
The canonical SMILES for [(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea is Cc1cc(O)c(C=NNC(N)=O)c(C)c1Cl.
What is the InChIKey of [(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea?
The InChIKey is FOWQCTINVYSCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-5-3-8(15)7(6(2)9(5)11)4-13-14-10(12)16/h3-4,15H,1-2H3,(H3,12,14,16).
What are the key properties of [(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea?
[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea has a molecular weight of 241.68 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea is sourced from PubChem (CID 168533781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).