1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea

C9H9Cl2N3O3 — CID 135716779

IUPAC1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea
SMILESO=C(N/C=N/O)NOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N3O3/c10-7-2-1-6(8(11)3-7)4-17-14-9(15)12-5-13-16/h1-3,5,16H,4H2,(H2,12,13,14,15)
InChIKeyINYLKSIJMGWQKT-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.14
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea

1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea (PubChem CID 135716779) has the molecular formula C9H9Cl2N3O3 and a molecular weight of 278.10 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea
PubChem CID135716779
Molecular FormulaC9H9Cl2N3O3
Molecular Weight278.10 g/mol
Exact Mass277.00
IUPAC Name1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea
SMILESO=C(N/C=N/O)NOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N3O3/c10-7-2-1-6(8(11)3-7)4-17-14-9(15)12-5-13-16/h1-3,5,16H,4H2,(H2,12,13,14,15)
InChIKeyINYLKSIJMGWQKT-UHFFFAOYSA-N
XLogP2.14
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.14
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea
CID 135473476
N-[(2,4-dichlorophenyl)methoxy]formamide
CID 19046665
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate
CID 2375336
(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
CID 27102174
3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682789
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
CID 55246702
(2,4-dichlorophenyl)methyl 4-iodobenzoate
CID 2387646
(2,4-dichlorophenyl)methyl cyclobutanecarboxylate
CID 2374200
(2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate
CID 1471296
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea?
The IUPAC name of 1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea (CID 135716779) is 1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea is O=C(N/C=N/O)NOCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea?
The InChIKey is INYLKSIJMGWQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O3/c10-7-2-1-6(8(11)3-7)4-17-14-9(15)12-5-13-16/h1-3,5,16H,4H2,(H2,12,13,14,15).
What are the key properties of 1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea?
1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea has a molecular weight of 278.10 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methoxy]-3-[(E)-hydroxyiminomethyl]urea is sourced from PubChem (CID 135716779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).