[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea

C17H17Cl2N3O3 — CID 168533319

IUPAC[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
SMILESCCOc1cc(C=NNC(N)=O)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C17H17Cl2N3O3/c1-2-24-15-7-12(9-21-22-17(20)23)14(19)8-16(15)25-10-11-5-3-4-6-13(11)18/h3-9H,2,10H2,1H3,(H3,20,22,23)
InChIKeyFGEHKBBHBXBKSR-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.97
Rot. Bonds7

About [[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea

[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea (PubChem CID 168533319) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is [[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
PubChem CID168533319
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
SMILESCCOc1cc(C=NNC(N)=O)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C17H17Cl2N3O3/c1-2-24-15-7-12(9-21-22-17(20)23)14(19)8-16(15)25-10-11-5-3-4-6-13(11)18/h3-9H,2,10H2,1H3,(H3,20,22,23)
InChIKeyFGEHKBBHBXBKSR-UHFFFAOYSA-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

[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532736
[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5426311
[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
CID 94844311
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126325115
[(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea
CID 19617599
[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 6872804
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide
CID 168533326
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
N-[(E)-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126330906
2-[4-[(carbamothioylhydrazinylidene)methyl]-5-chloro-2-ethoxyphenoxy]acetic acid
CID 168535799

Frequently Asked Questions

What is the IUPAC name of [[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea?
The IUPAC name of [[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea (CID 168533319) is [[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea.
What is the SMILES notation for [[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea?
The canonical SMILES for [[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea is CCOc1cc(C=NNC(N)=O)c(Cl)cc1OCc1ccccc1Cl.
What is the InChIKey of [[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea?
The InChIKey is FGEHKBBHBXBKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-2-24-15-7-12(9-21-22-17(20)23)14(19)8-16(15)25-10-11-5-3-4-6-13(11)18/h3-9H,2,10H2,1H3,(H3,20,22,23).
What are the key properties of [[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea?
[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-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 [[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea is sourced from PubChem (CID 168533319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).