[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea

C15H12BrCl2N3O2 — CID 168533091

IUPAC[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl2N3O2/c16-11-2-4-14(10(5-11)7-20-21-15(19)22)23-8-9-1-3-12(17)6-13(9)18/h1-7H,8H2,(H3,19,21,22)
InChIKeyGGYMBRXIPSSRKL-UHFFFAOYSA-N
MW417.09 g/mol
LogP4.34
Rot. Bonds5

About [[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea

[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 168533091) has the molecular formula C15H12BrCl2N3O2 and a molecular weight of 417.09 g/mol. Its IUPAC name is [[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID168533091
Molecular FormulaC15H12BrCl2N3O2
Molecular Weight417.09 g/mol
Exact Mass414.95
IUPAC Name[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl2N3O2/c16-11-2-4-14(10(5-11)7-20-21-15(19)22)23-8-9-1-3-12(17)6-13(9)18/h1-7H,8H2,(H3,19,21,22)
InChIKeyGGYMBRXIPSSRKL-UHFFFAOYSA-N
XLogP4.34
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.09
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 3954725
N-[(E)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126328663
[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 1370223
[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532744
[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 6894192
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide
CID 3351476
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide
CID 5177833
2-[4-bromo-2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 19617744
[(5-bromo-2-butoxyphenyl)methylideneamino]urea
CID 57360203
2-(4-bromoanilino)-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126349752
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098

Frequently Asked Questions

What is the IUPAC name of [[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea (CID 168533091) is [[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea is NC(=O)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of [[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is GGYMBRXIPSSRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2N3O2/c16-11-2-4-14(10(5-11)7-20-21-15(19)22)23-8-9-1-3-12(17)6-13(9)18/h1-7H,8H2,(H3,19,21,22).
What are the key properties of [[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea?
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea has a molecular weight of 417.09 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 168533091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).