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

C15H13BrFN3O2 — CID 4179094

IUPAC[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H13BrFN3O2/c16-13-7-11(8-19-20-15(18)21)3-6-14(13)22-9-10-1-4-12(17)5-2-10/h1-8H,9H2,(H3,18,20,21)
InChIKeySQOWNXYCKQITSR-UHFFFAOYSA-N
MW366.19 g/mol
LogP3.17
Rot. Bonds5

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

[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 4179094) has the molecular formula C15H13BrFN3O2 and a molecular weight of 366.19 g/mol. Its IUPAC name is [[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID4179094
Molecular FormulaC15H13BrFN3O2
Molecular Weight366.19 g/mol
Exact Mass365.02
IUPAC Name[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H13BrFN3O2/c16-13-7-11(8-19-20-15(18)21)3-6-14(13)22-9-10-1-4-12(17)5-2-10/h1-8H,9H2,(H3,18,20,21)
InChIKeySQOWNXYCKQITSR-UHFFFAOYSA-N
XLogP3.17
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 53.17
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'}

Analyze [[3-bromo-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

[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532579
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126245549
N-[(E)-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126331879
[(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 94830021
[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 71670057
[[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea
CID 168532203
[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 4508535
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
N-[1-[2-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 3651840
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126323347
1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 51342273
N-[(E)-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126232013

Frequently Asked Questions

What is the IUPAC name of [[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea (CID 4179094) is [[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea is NC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1.
What is the InChIKey of [[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is SQOWNXYCKQITSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O2/c16-13-7-11(8-19-20-15(18)21)3-6-14(13)22-9-10-1-4-12(17)5-2-10/h1-8H,9H2,(H3,18,20,21).
What are the key properties of [[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea has a molecular weight of 366.19 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 4179094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).