[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea

C17H17Cl2N3O3 — CID 6872804

IUPAC[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea
SMILESCCOc1cc(/C=N/NC(N)=O)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2N3O3/c1-2-24-16-8-11(9-21-22-17(20)23)6-7-15(16)25-10-12-13(18)4-3-5-14(12)19/h3-9H,2,10H2,1H3,(H3,20,22,23)/b21-9+
InChIKeyRBZKUUHJBSALLQ-ZVBGSRNCSA-N
MW382.25 g/mol
LogP3.97
Rot. Bonds7

About [(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea

[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea (PubChem CID 6872804) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is [(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea
PubChem CID6872804
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea
SMILESCCOc1cc(/C=N/NC(N)=O)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2N3O3/c1-2-24-16-8-11(9-21-22-17(20)23)6-7-15(16)25-10-12-13(18)4-3-5-14(12)19/h3-9H,2,10H2,1H3,(H3,20,22,23)/b21-9+
InChIKeyRBZKUUHJBSALLQ-ZVBGSRNCSA-N
XLogP3.97
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.97
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

N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 110509381
2-[(2E)-2-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]ethanol
CID 110507462
1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylthiourea
CID 5053307
[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 110340726
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5416165
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110507173

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea?
The IUPAC name of [(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea (CID 6872804) is [(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea is CCOc1cc(/C=N/NC(N)=O)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of [(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea?
The InChIKey is RBZKUUHJBSALLQ-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-2-24-16-8-11(9-21-22-17(20)23)6-7-15(16)25-10-12-13(18)4-3-5-14(12)19/h3-9H,2,10H2,1H3,(H3,20,22,23)/b21-9+.
What are the key properties of [(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea?
[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea has a molecular weight of 382.25 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea is sourced from PubChem (CID 6872804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).