[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea

C16H16ClN3O3 — CID 168532736

IUPAC[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
SMILESCOc1cccc(C=NNC(N)=O)c1OCc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O3/c1-22-14-8-4-6-11(9-19-20-16(18)21)15(14)23-10-12-5-2-3-7-13(12)17/h2-9H,10H2,1H3,(H3,18,20,21)
InChIKeyJVLGDEAGOLJNNT-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.93
Rot. Bonds6

About [[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea

[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea (PubChem CID 168532736) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is [[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
PubChem CID168532736
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
SMILESCOc1cccc(C=NNC(N)=O)c1OCc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O3/c1-22-14-8-4-6-11(9-19-20-16(18)21)15(14)23-10-12-5-2-3-7-13(12)17/h2-9H,10H2,1H3,(H3,18,20,21)
InChIKeyJVLGDEAGOLJNNT-UHFFFAOYSA-N
XLogP2.93
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.93
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-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532739
N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340261
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110340334
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110840891
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 112538716
3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840470
[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 168533319
4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol
CID 50885952
(E)-3-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enamide
CID 50885831

Frequently Asked Questions

What is the IUPAC name of [[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
The IUPAC name of [[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea (CID 168532736) is [[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea.
What is the SMILES notation for [[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
The canonical SMILES for [[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea is COc1cccc(C=NNC(N)=O)c1OCc1ccccc1Cl.
What is the InChIKey of [[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
The InChIKey is JVLGDEAGOLJNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-22-14-8-4-6-11(9-19-20-16(18)21)15(14)23-10-12-5-2-3-7-13(12)17/h2-9H,10H2,1H3,(H3,18,20,21).
What are the key properties of [[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea?
[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea has a molecular weight of 333.78 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea is sourced from PubChem (CID 168532736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).