1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea

C7H5Cl4N2O2P — CID 91621924

IUPAC1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea
SMILESO=C(Nc1ccc(Cl)cc1Cl)NP(=O)(Cl)Cl
InChIInChI=1S/C7H5Cl4N2O2P/c8-4-1-2-6(5(9)3-4)12-7(14)13-16(10,11)15/h1-3H,(H2,12,13,14,15)
InChIKeyOYNYOOGWPDEMAG-UHFFFAOYSA-N
MW321.92 g/mol
LogP4.70
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea

1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea (PubChem CID 91621924) has the molecular formula C7H5Cl4N2O2P and a molecular weight of 321.92 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea
PubChem CID91621924
Molecular FormulaC7H5Cl4N2O2P
Molecular Weight321.92 g/mol
Exact Mass319.88
IUPAC Name1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea
SMILESO=C(Nc1ccc(Cl)cc1Cl)NP(=O)(Cl)Cl
InChIInChI=1S/C7H5Cl4N2O2P/c8-4-1-2-6(5(9)3-4)12-7(14)13-16(10,11)15/h1-3H,(H2,12,13,14,15)
InChIKeyOYNYOOGWPDEMAG-UHFFFAOYSA-N
XLogP4.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.92
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-nitrophenyl)-3-dichlorophosphorylurea
CID 91621927
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
1-(2,4-dichlorophenyl)-3-ethenylurea
CID 108909057
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81160963
2-[(2,4-dichlorophenyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791312
N-(2,4-dichlorophenyl)propanamide
CID 923083
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea (CID 91621924) is 1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea is O=C(Nc1ccc(Cl)cc1Cl)NP(=O)(Cl)Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea?
The InChIKey is OYNYOOGWPDEMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl4N2O2P/c8-4-1-2-6(5(9)3-4)12-7(14)13-16(10,11)15/h1-3H,(H2,12,13,14,15).
What are the key properties of 1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea?
1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea has a molecular weight of 321.92 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea is sourced from PubChem (CID 91621924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).