N-dichlorophosphorylbenzamide

C7H6Cl2NO2P — CID 4737335

IUPACN-dichlorophosphorylbenzamide
SMILESO=C(NP(=O)(Cl)Cl)c1ccccc1
InChIInChI=1S/C7H6Cl2NO2P/c8-13(9,12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H,10,11,12)
InChIKeyKTFNLEKLXOBDEL-UHFFFAOYSA-N
MW238.01 g/mol
LogP3.00
Rot. Bonds2

About N-dichlorophosphorylbenzamide

N-dichlorophosphorylbenzamide (PubChem CID 4737335) has the molecular formula C7H6Cl2NO2P and a molecular weight of 238.01 g/mol. Its IUPAC name is N-dichlorophosphorylbenzamide.

Molecular Properties

Compound NameN-dichlorophosphorylbenzamide
PubChem CID4737335
Molecular FormulaC7H6Cl2NO2P
Molecular Weight238.01 g/mol
Exact Mass236.95
IUPAC NameN-dichlorophosphorylbenzamide
SMILESO=C(NP(=O)(Cl)Cl)c1ccccc1
InChIInChI=1S/C7H6Cl2NO2P/c8-13(9,12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H,10,11,12)
InChIKeyKTFNLEKLXOBDEL-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.01
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 57451198

Frequently Asked Questions

What is the IUPAC name of N-dichlorophosphorylbenzamide?
The IUPAC name of N-dichlorophosphorylbenzamide (CID 4737335) is N-dichlorophosphorylbenzamide.
What is the SMILES notation for N-dichlorophosphorylbenzamide?
The canonical SMILES for N-dichlorophosphorylbenzamide is O=C(NP(=O)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-dichlorophosphorylbenzamide?
The InChIKey is KTFNLEKLXOBDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2NO2P/c8-13(9,12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H,10,11,12).
What are the key properties of N-dichlorophosphorylbenzamide?
N-dichlorophosphorylbenzamide has a molecular weight of 238.01 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichlorophosphorylbenzamide is sourced from PubChem (CID 4737335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).