1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea

C10H11Cl2N3O3 — CID 135512313

IUPAC1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea
SMILESCO/N=C/NC(=O)NOCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c1-17-14-6-13-10(16)15-18-5-7-8(11)3-2-4-9(7)12/h2-4,6H,5H2,1H3,(H2,13,14,15,16)
InChIKeyKXRDHVNPUYEBHT-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.31
Rot. Bonds5

About 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea

1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea (PubChem CID 135512313) has the molecular formula C10H11Cl2N3O3 and a molecular weight of 292.12 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea
PubChem CID135512313
Molecular FormulaC10H11Cl2N3O3
Molecular Weight292.12 g/mol
Exact Mass291.02
IUPAC Name1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea
SMILESCO/N=C/NC(=O)NOCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c1-17-14-6-13-10(16)15-18-5-7-8(11)3-2-4-9(7)12/h2-4,6H,5H2,1H3,(H2,13,14,15,16)
InChIKeyKXRDHVNPUYEBHT-UHFFFAOYSA-N
XLogP2.31
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dichlorobenzyl)oxy]urea
CID 3652330
N-[(2,6-dichlorobenzyl)oxy]urea
CID 3411608
N-({[(2,4-dichlorobenzyl)oxy]imino}methyl)-N'-methylthiourea
CID 16413681
Guanidine, ((2,6-dichlorobenzyl)oxy)-, hydrochloride
CID 135713866
N-[(2,6-dichlorobenzyl)oxy]-N-({[(2,4-dichlorobenzyl)oxy]imino}methyl)urea
CID 135476845
N-({[(2,6-dichlorobenzyl)oxy]imino}methyl)-N'-methylthiourea
CID 16413682
N-[(2,4-dichlorobenzyl)oxy]-N-[(methoxyimino)methyl]urea
CID 135512312
1-[[(2,4-Dichlorophenyl)methoxyamino]methylidene]-3-methylthiourea
CID 3742423
1-[[(2,6-Dichlorophenyl)methoxyamino]methylidene]-3-methylthiourea
CID 3840269
1-[(2,6-Dichlorophenyl)methoxy]-3-[(2,4-dichlorophenyl)methoxyiminomethyl]urea
CID 135468863
1-[(2,4-Dichlorophenyl)methoxy]-3-(methoxyiminomethyl)urea
CID 135486300
1-[(2,6-Dichlorophenyl)methoxy]-3-(methoxyiminomethyl)urea
CID 135438249

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea?
The IUPAC name of 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea (CID 135512313) is 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea is CO/N=C/NC(=O)NOCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea?
The InChIKey is KXRDHVNPUYEBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O3/c1-17-14-6-13-10(16)15-18-5-7-8(11)3-2-4-9(7)12/h2-4,6H,5H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea?
1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea has a molecular weight of 292.12 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methoxy]-3-[(E)-methoxyiminomethyl]urea is sourced from PubChem (CID 135512313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).