[[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea

C15H14FN3O2 — CID 168532493

IUPAC[[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea
SMILESCOc1ccc(-c2cccc(C=NNC(N)=O)c2)cc1F
InChIInChI=1S/C15H14FN3O2/c1-21-14-6-5-12(8-13(14)16)11-4-2-3-10(7-11)9-18-19-15(17)20/h2-9H,1H3,(H3,17,19,20)
InChIKeyYLKZRHSQZFGLAI-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.50
Rot. Bonds4

About [[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea

[[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea (PubChem CID 168532493) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is [[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea
PubChem CID168532493
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name[[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea
SMILESCOc1ccc(-c2cccc(C=NNC(N)=O)c2)cc1F
InChIInChI=1S/C15H14FN3O2/c1-21-14-6-5-12(8-13(14)16)11-4-2-3-10(7-11)9-18-19-15(17)20/h2-9H,1H3,(H3,17,19,20)
InChIKeyYLKZRHSQZFGLAI-UHFFFAOYSA-N
XLogP2.50
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.50
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

[[4-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea
CID 168532494
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
[[3-(4-tert-butylphenyl)phenyl]methylideneamino]urea
CID 168532530
3-(3-fluoro-4-methoxyphenyl)benzamide
CID 68818750
[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
CID 9017274
[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 5426340
[[3-fluoro-4-(4-fluorophenoxy)phenyl]methylideneamino]urea
CID 54483879
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 8979924
N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693745
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532579
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116

Frequently Asked Questions

What is the IUPAC name of [[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea?
The IUPAC name of [[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea (CID 168532493) is [[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea.
What is the SMILES notation for [[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea?
The canonical SMILES for [[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea is COc1ccc(-c2cccc(C=NNC(N)=O)c2)cc1F.
What is the InChIKey of [[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea?
The InChIKey is YLKZRHSQZFGLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-21-14-6-5-12(8-13(14)16)11-4-2-3-10(7-11)9-18-19-15(17)20/h2-9H,1H3,(H3,17,19,20).
What are the key properties of [[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea?
[[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea has a molecular weight of 287.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea is sourced from PubChem (CID 168532493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).