[(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea

C16H16BrN3O2 — CID 125473703

IUPAC[(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccccc1Oc1ccccc1CCBr
InChIInChI=1S/C16H16BrN3O2/c17-10-9-12-5-1-3-7-14(12)22-15-8-4-2-6-13(15)11-19-20-16(18)21/h1-8,11H,9-10H2,(H3,18,20,21)/b19-11-
InChIKeyNXIWWWNSUWTVLW-ODLFYWEKSA-N
MW362.23 g/mol
LogP3.42
Rot. Bonds6

About [(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea

[(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea (PubChem CID 125473703) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is [(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea
PubChem CID125473703
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name[(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccccc1Oc1ccccc1CCBr
InChIInChI=1S/C16H16BrN3O2/c17-10-9-12-5-1-3-7-14(12)22-15-8-4-2-6-13(15)11-19-20-16(18)21/h1-8,11H,9-10H2,(H3,18,20,21)/b19-11-
InChIKeyNXIWWWNSUWTVLW-ODLFYWEKSA-N
XLogP3.42
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[2-[2-(2-bromoethyl)phenoxy]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

[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea
CID 168532584
[[2-(butan-2-yloxymethyl)phenyl]methylideneamino]urea
CID 168532054
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide
CID 59447876
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2165957
[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532736
[[2-(bromomethyl)-4-fluorophenyl]methylideneamino]urea
CID 168533953
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
[[2-[3-(4-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3572601

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea (CID 125473703) is [(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea is NC(=O)N/N=C\c1ccccc1Oc1ccccc1CCBr.
What is the InChIKey of [(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea?
The InChIKey is NXIWWWNSUWTVLW-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-10-9-12-5-1-3-7-14(12)22-15-8-4-2-6-13(15)11-19-20-16(18)21/h1-8,11H,9-10H2,(H3,18,20,21)/b19-11-.
What are the key properties of [(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea?
[(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea has a molecular weight of 362.23 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 125473703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).