1-(3-chlorophenyl)-3-(methoxymethoxy)urea

C9H11ClN2O3 — CID 110495475

IUPAC1-(3-chlorophenyl)-3-(methoxymethoxy)urea
SMILESCOCONC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O3/c1-14-6-15-12-9(13)11-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyUEMCBXGUQCBYSR-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.00
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(methoxymethoxy)urea

1-(3-chlorophenyl)-3-(methoxymethoxy)urea (PubChem CID 110495475) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(methoxymethoxy)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(methoxymethoxy)urea
PubChem CID110495475
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name1-(3-chlorophenyl)-3-(methoxymethoxy)urea
SMILESCOCONC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O3/c1-14-6-15-12-9(13)11-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyUEMCBXGUQCBYSR-UHFFFAOYSA-N
XLogP2.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 115865549
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
CID 24528797
methyl N-(3-chlorophenyl)carbamate
CID 16529
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471
diethyl 2-[(3-chlorophenyl)carbamoylamino]propanedioate
CID 110495007
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea
CID 61013605
1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea
CID 110417399

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(methoxymethoxy)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(methoxymethoxy)urea (CID 110495475) is 1-(3-chlorophenyl)-3-(methoxymethoxy)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(methoxymethoxy)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(methoxymethoxy)urea is COCONC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(methoxymethoxy)urea?
The InChIKey is UEMCBXGUQCBYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-14-6-15-12-9(13)11-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H2,11,12,13).
What are the key properties of 1-(3-chlorophenyl)-3-(methoxymethoxy)urea?
1-(3-chlorophenyl)-3-(methoxymethoxy)urea has a molecular weight of 230.65 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(methoxymethoxy)urea is sourced from PubChem (CID 110495475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).