1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea

C18H20Cl3N2O4P — CID 4134094

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea
SMILESCOP(=O)(CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)OC
InChIInChI=1S/C18H20Cl3N2O4P/c1-26-28(25,27-2)12-23(10-9-13-3-5-14(19)6-4-13)18(24)22-15-7-8-16(20)17(21)11-15/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyRTVFOFNEJFUZOK-UHFFFAOYSA-N
MW465.70 g/mol
LogP6.17
Rot. Bonds8

About 1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea

1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea (PubChem CID 4134094) has the molecular formula C18H20Cl3N2O4P and a molecular weight of 465.70 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea
PubChem CID4134094
Molecular FormulaC18H20Cl3N2O4P
Molecular Weight465.70 g/mol
Exact Mass464.02
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea
SMILESCOP(=O)(CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)OC
InChIInChI=1S/C18H20Cl3N2O4P/c1-26-28(25,27-2)12-23(10-9-13-3-5-14(19)6-4-13)18(24)22-15-7-8-16(20)17(21)11-15/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyRTVFOFNEJFUZOK-UHFFFAOYSA-N
XLogP6.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.70
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea
CID 3424360
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide
CID 109002904
ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate
CID 61008817
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
CID 20788075
3-(3,4-dichlorophenyl)-1-methyl-1-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)urea
CID 12906052
2-[(3,4-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4597509
1-tert-butyl-3-(3,4-dichlorophenyl)-1-ethylurea
CID 108866426
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113164773
2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769251
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea
CID 47815544

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea (CID 4134094) is 1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea is COP(=O)(CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)OC.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea?
The InChIKey is RTVFOFNEJFUZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl3N2O4P/c1-26-28(25,27-2)12-23(10-9-13-3-5-14(19)6-4-13)18(24)22-15-7-8-16(20)17(21)11-15/h3-8,11H,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea?
1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea has a molecular weight of 465.70 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-1-(dimethoxyphosphorylmethyl)urea is sourced from PubChem (CID 4134094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).