N,N-dibenzyl-cyanophosphonamidic acid

C15H15N2O2P — CID 70187958

IUPACN,N-dibenzyl-cyanophosphonamidic acid
SMILESN#CP(=O)(O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H15N2O2P/c16-13-20(18,19)17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-12H2,(H,18,19)
InChIKeyVFCNSRCGYLPTBX-UHFFFAOYSA-N
MW286.27 g/mol
LogP3.36
Rot. Bonds5

About N,N-dibenzyl-cyanophosphonamidic acid

N,N-dibenzyl-cyanophosphonamidic acid (PubChem CID 70187958) has the molecular formula C15H15N2O2P and a molecular weight of 286.27 g/mol. Its IUPAC name is N,N-dibenzyl-cyanophosphonamidic acid.

Molecular Properties

Compound NameN,N-dibenzyl-cyanophosphonamidic acid
PubChem CID70187958
Molecular FormulaC15H15N2O2P
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC NameN,N-dibenzyl-cyanophosphonamidic acid
SMILESN#CP(=O)(O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H15N2O2P/c16-13-20(18,19)17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-12H2,(H,18,19)
InChIKeyVFCNSRCGYLPTBX-UHFFFAOYSA-N
XLogP3.36
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 53.36
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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N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide
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N-benzyl-N-diethoxyphosphorylethanamine
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(E)-2-diphenylphosphoryl-3-hydroxy-4-phenylbut-2-enenitrile
CID 25250801
3-[benzyl(phenacyl)amino]propanenitrile
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N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-cyanophosphonamidic acid?
The IUPAC name of N,N-dibenzyl-cyanophosphonamidic acid (CID 70187958) is N,N-dibenzyl-cyanophosphonamidic acid.
What is the SMILES notation for N,N-dibenzyl-cyanophosphonamidic acid?
The canonical SMILES for N,N-dibenzyl-cyanophosphonamidic acid is N#CP(=O)(O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-cyanophosphonamidic acid?
The InChIKey is VFCNSRCGYLPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2O2P/c16-13-20(18,19)17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-12H2,(H,18,19).
What are the key properties of N,N-dibenzyl-cyanophosphonamidic acid?
N,N-dibenzyl-cyanophosphonamidic acid has a molecular weight of 286.27 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-cyanophosphonamidic acid is sourced from PubChem (CID 70187958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).