[(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea

C17H18BrN3O3 — CID 19617599

IUPAC[(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea
SMILESCCOc1cc(/C=N/NC(N)=O)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C17H18BrN3O3/c1-2-23-15-8-13(10-20-21-17(19)22)14(18)9-16(15)24-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H3,19,21,22)/b20-10+
InChIKeyCEEJUYGVHAMBTP-KEBDBYFISA-N
MW392.25 g/mol
LogP3.43
Rot. Bonds7

About [(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea

[(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea (PubChem CID 19617599) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is [(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea
PubChem CID19617599
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name[(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea
SMILESCCOc1cc(/C=N/NC(N)=O)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C17H18BrN3O3/c1-2-23-15-8-13(10-20-21-17(19)22)14(18)9-16(15)24-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H3,19,21,22)/b20-10+
InChIKeyCEEJUYGVHAMBTP-KEBDBYFISA-N
XLogP3.43
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.43
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

2-[5-bromo-4-[(Z)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]acetic acid
CID 19655705
2-[5-bromo-4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]acetic acid
CID 19578401
[(E)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 19617603
(NZ)-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 6299617
[(E)-[2-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]urea
CID 19617566
2-[5-bromo-4-[(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 168533283
3,5-dibromo-N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 3448520
[(Z)-[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 126087766
[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 126085472
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 3558422
N-[(Z)-[2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378322
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea (CID 19617599) is [(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea is CCOc1cc(/C=N/NC(N)=O)c(Br)cc1OCc1ccccc1.
What is the InChIKey of [(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea?
The InChIKey is CEEJUYGVHAMBTP-KEBDBYFISA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-2-23-15-8-13(10-20-21-17(19)22)14(18)9-16(15)24-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H3,19,21,22)/b20-10+.
What are the key properties of [(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea?
[(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea has a molecular weight of 392.25 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 19617599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).