[[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea

C15H12F3N3O2 — CID 168532203

IUPAC[[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(OCc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C15H12F3N3O2/c16-11-3-1-10(6-12(11)17)8-23-14-4-2-9(5-13(14)18)7-20-21-15(19)22/h1-7H,8H2,(H3,19,21,22)
InChIKeyRUYUXWFAKHFIGS-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.69
Rot. Bonds5

About [[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea

[[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea (PubChem CID 168532203) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is [[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea
PubChem CID168532203
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Name[[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(OCc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C15H12F3N3O2/c16-11-3-1-10(6-12(11)17)8-23-14-4-2-9(5-13(14)18)7-20-21-15(19)22/h1-7H,8H2,(H3,19,21,22)
InChIKeyRUYUXWFAKHFIGS-UHFFFAOYSA-N
XLogP2.69
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.69
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 [[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]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-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 4179094
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532579
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
[[3-fluoro-4-(4-fluorophenoxy)phenyl]methylideneamino]urea
CID 54483879
[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 4508535
[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532744
[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea
CID 168532167
[5-[(carbamoylhydrazinylidene)methyl]-2-phenylmethoxyphenyl]boronic acid
CID 168534084
[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 5426340
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]urea
CID 168534106

Frequently Asked Questions

What is the IUPAC name of [[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea?
The IUPAC name of [[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea (CID 168532203) is [[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea.
What is the SMILES notation for [[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea?
The canonical SMILES for [[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea is NC(=O)NN=Cc1ccc(OCc2ccc(F)c(F)c2)c(F)c1.
What is the InChIKey of [[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea?
The InChIKey is RUYUXWFAKHFIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-11-3-1-10(6-12(11)17)8-23-14-4-2-9(5-13(14)18)7-20-21-15(19)22/h1-7H,8H2,(H3,19,21,22).
What are the key properties of [[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea?
[[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea has a molecular weight of 323.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]urea is sourced from PubChem (CID 168532203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).