[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea

C16H15Cl2N3O3 — CID 6894192

IUPAC[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
SMILESCOc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3O3/c1-23-15-6-10(8-20-21-16(19)22)2-5-14(15)24-9-11-3-4-12(17)7-13(11)18/h2-8H,9H2,1H3,(H3,19,21,22)/b20-8+
InChIKeyLQYHCMLJASLCLD-DNTJNYDQSA-N
MW368.22 g/mol
LogP3.58
Rot. Bonds6

About [(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea

[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea (PubChem CID 6894192) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is [(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
PubChem CID6894192
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
SMILESCOc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3O3/c1-23-15-6-10(8-20-21-16(19)22)2-5-14(15)24-9-11-3-4-12(17)7-13(11)18/h2-8H,9H2,1H3,(H3,19,21,22)/b20-8+
InChIKeyLQYHCMLJASLCLD-DNTJNYDQSA-N
XLogP3.58
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 6079153
[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532771
3-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 94851424
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126370458
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 51061815
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 5339960
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126368958
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 78678912
[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 5426340
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 124541267

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
The IUPAC name of [(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea (CID 6894192) is [(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea is COc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of [(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
The InChIKey is LQYHCMLJASLCLD-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-23-15-6-10(8-20-21-16(19)22)2-5-14(15)24-9-11-3-4-12(17)7-13(11)18/h2-8H,9H2,1H3,(H3,19,21,22)/b20-8+.
What are the key properties of [(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea has a molecular weight of 368.22 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea is sourced from PubChem (CID 6894192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).