[(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea

C17H17BrFN3O3 — CID 94830021

IUPAC[(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESCCOc1cc(/C=N\NC(N)=O)cc(Br)c1OCc1ccc(F)cc1
InChIInChI=1S/C17H17BrFN3O3/c1-2-24-15-8-12(9-21-22-17(20)23)7-14(18)16(15)25-10-11-3-5-13(19)6-4-11/h3-9H,2,10H2,1H3,(H3,20,22,23)/b21-9-
InChIKeyZAVJDLBZJUNADB-NKVSQWTQSA-N
MW410.24 g/mol
LogP3.57
Rot. Bonds7

About [(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea

[(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 94830021) has the molecular formula C17H17BrFN3O3 and a molecular weight of 410.24 g/mol. Its IUPAC name is [(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID94830021
Molecular FormulaC17H17BrFN3O3
Molecular Weight410.24 g/mol
Exact Mass409.04
IUPAC Name[(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESCCOc1cc(/C=N\NC(N)=O)cc(Br)c1OCc1ccc(F)cc1
InChIInChI=1S/C17H17BrFN3O3/c1-2-24-15-8-12(9-21-22-17(20)23)7-14(18)16(15)25-10-11-3-5-13(19)6-4-11/h3-9H,2,10H2,1H3,(H3,20,22,23)/b21-9-
InChIKeyZAVJDLBZJUNADB-NKVSQWTQSA-N
XLogP3.57
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.24
LogP ≤ 53.57
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'}

Analyze [(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 6872613
[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 1001790
N-[(E)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126331789
N-[(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 99945521
N-[(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 21169840
N'-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
CID 4238343
ethyl 2-[2-bromo-6-ethoxy-4-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126227618
[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 4179094
[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 6872768
N'-[(E)-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 19658253
[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]thiourea
CID 6872579
4-[[2-bromo-4-[(E)-[(3,4-diethoxybenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]methyl]benzoic acid
CID 126309567

Frequently Asked Questions

What is the IUPAC name of [(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea (CID 94830021) is [(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea is CCOc1cc(/C=N\NC(N)=O)cc(Br)c1OCc1ccc(F)cc1.
What is the InChIKey of [(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is ZAVJDLBZJUNADB-NKVSQWTQSA-N. The full InChI is InChI=1S/C17H17BrFN3O3/c1-2-24-15-8-12(9-21-22-17(20)23)7-14(18)16(15)25-10-11-3-5-13(19)6-4-11/h3-9H,2,10H2,1H3,(H3,20,22,23)/b21-9-.
What are the key properties of [(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
[(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea has a molecular weight of 410.24 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 94830021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).