1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea

C10H12Cl2N2O3 — CID 113249966

IUPAC1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea
SMILESCOCCONC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O3/c1-16-4-5-17-14-10(15)13-9-6-7(11)2-3-8(9)12/h2-3,6H,4-5H2,1H3,(H2,13,14,15)
InChIKeyKAYAASFTUPPLOL-UHFFFAOYSA-N
MW279.12 g/mol
LogP2.69
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea

1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea (PubChem CID 113249966) has the molecular formula C10H12Cl2N2O3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea
PubChem CID113249966
Molecular FormulaC10H12Cl2N2O3
Molecular Weight279.12 g/mol
Exact Mass278.02
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea
SMILESCOCCONC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O3/c1-16-4-5-17-14-10(15)13-9-6-7(11)2-3-8(9)12/h2-3,6H,4-5H2,1H3,(H2,13,14,15)
InChIKeyKAYAASFTUPPLOL-UHFFFAOYSA-N
XLogP2.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea
CID 112700262
1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea
CID 43554951
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
methyl 2-(2,5-dichloroanilino)-2-oxoacetate
CID 11543309
2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
3-(2,5-dichlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54979402
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133069
3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 81089771
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea (CID 113249966) is 1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea is COCCONC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea?
The InChIKey is KAYAASFTUPPLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3/c1-16-4-5-17-14-10(15)13-9-6-7(11)2-3-8(9)12/h2-3,6H,4-5H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea?
1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea has a molecular weight of 279.12 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea is sourced from PubChem (CID 113249966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).