[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea

C20H18BrN3O3 — CID 126085472

IUPAC[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
SMILESCOc1cc(/C=N\NC(N)=O)c(Br)cc1OCc1cccc2ccccc12
InChIInChI=1S/C20H18BrN3O3/c1-26-18-9-15(11-23-24-20(22)25)17(21)10-19(18)27-12-14-7-4-6-13-5-2-3-8-16(13)14/h2-11H,12H2,1H3,(H3,22,24,25)/b23-11-
InChIKeyJWHBCEQQKUKJSA-KSEXSDGBSA-N
MW428.29 g/mol
LogP4.19
Rot. Bonds6

About [(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea

[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea (PubChem CID 126085472) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is [(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
PubChem CID126085472
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC Name[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
SMILESCOc1cc(/C=N\NC(N)=O)c(Br)cc1OCc1cccc2ccccc12
InChIInChI=1S/C20H18BrN3O3/c1-26-18-9-15(11-23-24-20(22)25)17(21)10-19(18)27-12-14-7-4-6-13-5-2-3-8-16(13)14/h2-11H,12H2,1H3,(H3,22,24,25)/b23-11-
InChIKeyJWHBCEQQKUKJSA-KSEXSDGBSA-N
XLogP4.19
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 54.19
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)-[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 126087766
[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 1370223
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 3819897
[(E)-[2-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]urea
CID 19617566
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 5430737
[(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea
CID 19617599
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126330028
[[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168533097
N-[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126125993
1-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3554168
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126315248
3-methoxy-N-[[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 3522022

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea (CID 126085472) is [(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea is COc1cc(/C=N\NC(N)=O)c(Br)cc1OCc1cccc2ccccc12.
What is the InChIKey of [(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
The InChIKey is JWHBCEQQKUKJSA-KSEXSDGBSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c1-26-18-9-15(11-23-24-20(22)25)17(21)10-19(18)27-12-14-7-4-6-13-5-2-3-8-16(13)14/h2-11H,12H2,1H3,(H3,22,24,25)/b23-11-.
What are the key properties of [(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea has a molecular weight of 428.29 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 126085472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).