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

C16H16FN3O3 — CID 168532579

IUPAC[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
SMILESCOc1ccc(C=NNC(N)=O)cc1OCc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O3/c1-22-14-7-4-12(9-19-20-16(18)21)8-15(14)23-10-11-2-5-13(17)6-3-11/h2-9H,10H2,1H3,(H3,18,20,21)
InChIKeyQUCRMEHQSNVYCV-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.42
Rot. Bonds6

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

[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea (PubChem CID 168532579) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is [[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
PubChem CID168532579
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
SMILESCOc1ccc(C=NNC(N)=O)cc1OCc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O3/c1-22-14-7-4-12(9-19-20-16(18)21)8-15(14)23-10-11-2-5-13(17)6-3-11/h2-9H,10H2,1H3,(H3,18,20,21)
InChIKeyQUCRMEHQSNVYCV-UHFFFAOYSA-N
XLogP2.42
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.42
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

[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]thiourea
CID 168535028
1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 51342273
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
methyl N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]carbamate
CID 9075501
[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 4179094
[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 4508535
[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532771
4-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126325384
N-(4-fluorophenyl)-N'-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 4171163
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561

Frequently Asked Questions

What is the IUPAC name of [[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea?
The IUPAC name of [[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea (CID 168532579) is [[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea.
What is the SMILES notation for [[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea?
The canonical SMILES for [[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea is COc1ccc(C=NNC(N)=O)cc1OCc1ccc(F)cc1.
What is the InChIKey of [[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea?
The InChIKey is QUCRMEHQSNVYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-22-14-7-4-12(9-19-20-16(18)21)8-15(14)23-10-11-2-5-13(17)6-3-11/h2-9H,10H2,1H3,(H3,18,20,21).
What are the key properties of [[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea?
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea has a molecular weight of 317.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea is sourced from PubChem (CID 168532579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).