1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea

C11H14Cl2N2O2 — CID 60591458

IUPAC1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1cc(Cl)c(C)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-7-9(12)5-8(6-10(7)13)15-11(16)14-3-4-17-2/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyVJOHULRYYNSHLZ-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.07
Rot. Bonds4

About 1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea

1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea (PubChem CID 60591458) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea
PubChem CID60591458
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1cc(Cl)c(C)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-7-9(12)5-8(6-10(7)13)15-11(16)14-3-4-17-2/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyVJOHULRYYNSHLZ-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.07
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-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
3,5-dichloro-4-(2-methoxyethylcarbamoylamino)benzoic acid
CID 82830151
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215
1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea
CID 47033133
1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
1-[2-[bis[2-[(3-chloro-4-methylphenyl)carbamoylamino]ethyl]amino]ethyl]-3-(3-chloro-4,5-dimethylphenyl)urea
CID 139204881
1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8658308

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea (CID 60591458) is 1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea is COCCNC(=O)Nc1cc(Cl)c(C)c(Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea?
The InChIKey is VJOHULRYYNSHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-7-9(12)5-8(6-10(7)13)15-11(16)14-3-4-17-2/h5-6H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea?
1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea has a molecular weight of 277.15 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 60591458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).