N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide

C30H30Cl2N3O2P — CID 102300965

IUPACN-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide
SMILESO=C(NP(=O)(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)C(Cl)Cl
InChIInChI=1S/C30H30Cl2N3O2P/c31-29(32)30(36)33-38(37,34(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20,29H,21-24H2,(H,33,36,37)
InChIKeyAFJKNKADOWZLHT-UHFFFAOYSA-N
MW566.47 g/mol
LogP7.42
Rot. Bonds12

About N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide

N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide (PubChem CID 102300965) has the molecular formula C30H30Cl2N3O2P and a molecular weight of 566.47 g/mol. Its IUPAC name is N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide.

Molecular Properties

Compound NameN-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide
PubChem CID102300965
Molecular FormulaC30H30Cl2N3O2P
Molecular Weight566.47 g/mol
Exact Mass565.15
IUPAC NameN-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide
SMILESO=C(NP(=O)(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)C(Cl)Cl
InChIInChI=1S/C30H30Cl2N3O2P/c31-29(32)30(36)33-38(37,34(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20,29H,21-24H2,(H,33,36,37)
InChIKeyAFJKNKADOWZLHT-UHFFFAOYSA-N
XLogP7.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.47
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide?
The IUPAC name of N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide (CID 102300965) is N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide.
What is the SMILES notation for N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide?
The canonical SMILES for N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide is O=C(NP(=O)(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)C(Cl)Cl.
What is the InChIKey of N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide?
The InChIKey is AFJKNKADOWZLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2N3O2P/c31-29(32)30(36)33-38(37,34(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20,29H,21-24H2,(H,33,36,37).
What are the key properties of N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide?
N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide has a molecular weight of 566.47 g/mol, XLogP of 7.42, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide is sourced from PubChem (CID 102300965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).