[[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea

C15H13F2N3O2 — CID 168532086

IUPAC[[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cccc(OCc2ccc(F)cc2F)c1
InChIInChI=1S/C15H13F2N3O2/c16-12-5-4-11(14(17)7-12)9-22-13-3-1-2-10(6-13)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)
InChIKeyIMJHMNRQSVRTHI-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.55
Rot. Bonds5

About [[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea

[[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 168532086) has the molecular formula C15H13F2N3O2 and a molecular weight of 305.28 g/mol. Its IUPAC name is [[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID168532086
Molecular FormulaC15H13F2N3O2
Molecular Weight305.28 g/mol
Exact Mass305.10
IUPAC Name[[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cccc(OCc2ccc(F)cc2F)c1
InChIInChI=1S/C15H13F2N3O2/c16-12-5-4-11(14(17)7-12)9-22-13-3-1-2-10(6-13)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21)
InChIKeyIMJHMNRQSVRTHI-UHFFFAOYSA-N
XLogP2.55
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.55
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'}

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Related Compounds

[[3-[(4-cyano-2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533209
[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 110340726
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19658870
[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea
CID 168532079
[[3-(4-cyanobutoxy)phenyl]methylideneamino]urea
CID 168533217
N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 22780577
[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532771

Frequently Asked Questions

What is the IUPAC name of [[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea (CID 168532086) is [[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea is NC(=O)NN=Cc1cccc(OCc2ccc(F)cc2F)c1.
What is the InChIKey of [[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is IMJHMNRQSVRTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2/c16-12-5-4-11(14(17)7-12)9-22-13-3-1-2-10(6-13)8-19-20-15(18)21/h1-8H,9H2,(H3,18,20,21).
What are the key properties of [[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea?
[[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea has a molecular weight of 305.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 168532086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).