1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea

C16H17Cl2N2O4P — CID 91201895

IUPAC1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea
SMILESCOP(=O)(OC)c1ccccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N2O4P/c1-23-25(22,24-2)15-6-4-3-5-11(15)10-19-16(21)20-12-7-8-13(17)14(18)9-12/h3-9H,10H2,1-2H3,(H2,19,20,21)
InChIKeyGLPMFDCJMPFXEP-UHFFFAOYSA-N
MW403.20 g/mol
LogP4.43
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea

1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea (PubChem CID 91201895) has the molecular formula C16H17Cl2N2O4P and a molecular weight of 403.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea
PubChem CID91201895
Molecular FormulaC16H17Cl2N2O4P
Molecular Weight403.20 g/mol
Exact Mass402.03
IUPAC Name1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea
SMILESCOP(=O)(OC)c1ccccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N2O4P/c1-23-25(22,24-2)15-6-4-3-5-11(15)10-19-16(21)20-12-7-8-13(17)14(18)9-12/h3-9H,10H2,1-2H3,(H2,19,20,21)
InChIKeyGLPMFDCJMPFXEP-UHFFFAOYSA-N
XLogP4.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.20
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea
CID 91440895
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
CID 3810392
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
N-(3,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962989
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312064

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea (CID 91201895) is 1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea is COP(=O)(OC)c1ccccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea?
The InChIKey is GLPMFDCJMPFXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N2O4P/c1-23-25(22,24-2)15-6-4-3-5-11(15)10-19-16(21)20-12-7-8-13(17)14(18)9-12/h3-9H,10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea?
1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea has a molecular weight of 403.20 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea is sourced from PubChem (CID 91201895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).