[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea

C16H15ClFN3O3 — CID 168532771

IUPAC[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
SMILESCOc1ccc(C=NNC(N)=O)cc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClFN3O3/c1-23-14-5-2-10(8-20-21-16(19)22)6-15(14)24-9-11-3-4-12(18)7-13(11)17/h2-8H,9H2,1H3,(H3,19,21,22)
InChIKeyNUCMJKUXWAAHGG-UHFFFAOYSA-N
MW351.77 g/mol
LogP3.07
Rot. Bonds6

About [[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea

[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea (PubChem CID 168532771) has the molecular formula C16H15ClFN3O3 and a molecular weight of 351.77 g/mol. Its IUPAC name is [[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
PubChem CID168532771
Molecular FormulaC16H15ClFN3O3
Molecular Weight351.77 g/mol
Exact Mass351.08
IUPAC Name[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
SMILESCOc1ccc(C=NNC(N)=O)cc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClFN3O3/c1-23-14-5-2-10(8-20-21-16(19)22)6-15(14)24-9-11-3-4-12(18)7-13(11)17/h2-8H,9H2,1H3,(H3,19,21,22)
InChIKeyNUCMJKUXWAAHGG-UHFFFAOYSA-N
XLogP3.07
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]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

[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 6894192
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532579
[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532739
N'-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 19660161
[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 5426340
N-[(Z)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-[(2-phenylacetyl)amino]benzamide
CID 98457289
N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 19660335
[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 6079153
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
N-[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618147
[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5426311

Frequently Asked Questions

What is the IUPAC name of [[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea?
The IUPAC name of [[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea (CID 168532771) is [[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea.
What is the SMILES notation for [[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea?
The canonical SMILES for [[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea is COc1ccc(C=NNC(N)=O)cc1OCc1ccc(F)cc1Cl.
What is the InChIKey of [[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea?
The InChIKey is NUCMJKUXWAAHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3/c1-23-14-5-2-10(8-20-21-16(19)22)6-15(14)24-9-11-3-4-12(18)7-13(11)17/h2-8H,9H2,1H3,(H3,19,21,22).
What are the key properties of [[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea?
[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea has a molecular weight of 351.77 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea is sourced from PubChem (CID 168532771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).