1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea

C12H16Cl2N2O2 — CID 47442422

IUPAC1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-18-5-4-16-12(17)15-3-2-9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H2,15,16,17)
InChIKeyFAVLLYXUERXSTC-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.48
Rot. Bonds6

About 1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea

1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea (PubChem CID 47442422) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea
PubChem CID47442422
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-18-5-4-16-12(17)15-3-2-9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H2,15,16,17)
InChIKeyFAVLLYXUERXSTC-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea
CID 47440630
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide
CID 110480475
2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112685455
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409
1-[2-(furan-3-yl)ethyl]-3-(2-methoxyethyl)urea
CID 71798548
N-[2-(3,5-dichlorophenyl)ethyl]butanamide
CID 110478600
1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75522807
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103459
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8658308
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973326

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea (CID 47442422) is 1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The InChIKey is FAVLLYXUERXSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-18-5-4-16-12(17)15-3-2-9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea?
1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea has a molecular weight of 291.18 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47442422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).