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

C16H15ClFN3O3 — CID 168532739

IUPAC[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
SMILESCOc1cccc(C=NNC(N)=O)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClFN3O3/c1-23-14-4-2-3-10(8-20-21-16(19)22)15(14)24-9-11-5-6-12(18)7-13(11)17/h2-8H,9H2,1H3,(H3,19,21,22)
InChIKeyIQJRVZLCVGZITE-UHFFFAOYSA-N
MW351.77 g/mol
LogP3.07
Rot. Bonds6

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

[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea (PubChem CID 168532739) has the molecular formula C16H15ClFN3O3 and a molecular weight of 351.77 g/mol. Its IUPAC name is [[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
PubChem CID168532739
Molecular FormulaC16H15ClFN3O3
Molecular Weight351.77 g/mol
Exact Mass351.08
IUPAC Name[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
SMILESCOc1cccc(C=NNC(N)=O)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClFN3O3/c1-23-14-4-2-3-10(8-20-21-16(19)22)15(14)24-9-11-5-6-12(18)7-13(11)17/h2-8H,9H2,1H3,(H3,19,21,22)
InChIKeyIQJRVZLCVGZITE-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'}

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Related Compounds

[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532736
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532771
[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 112538716
[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110340334
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 98103649
[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168535031
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 51061972
[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 6079153
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321
N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340261
[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168534891

Frequently Asked Questions

What is the IUPAC name of [[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
The IUPAC name of [[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea (CID 168532739) is [[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea.
What is the SMILES notation for [[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
The canonical SMILES for [[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea is COc1cccc(C=NNC(N)=O)c1OCc1ccc(F)cc1Cl.
What is the InChIKey of [[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
The InChIKey is IQJRVZLCVGZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3/c1-23-14-4-2-3-10(8-20-21-16(19)22)15(14)24-9-11-5-6-12(18)7-13(11)17/h2-8H,9H2,1H3,(H3,19,21,22).
What are the key properties of [[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-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 [[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea is sourced from PubChem (CID 168532739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).