benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid

C15H14NO4P — CID 67153231

IUPACbenzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid
SMILESO=C(NP(=O)(O)Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H14NO4P/c17-14(13-9-5-2-6-10-13)15(18)16-21(19,20)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,18,19,20)
InChIKeyCCWQXSNUJPTXCL-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.37
Rot. Bonds5

About benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid

benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid (PubChem CID 67153231) has the molecular formula C15H14NO4P and a molecular weight of 303.25 g/mol. Its IUPAC name is benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid.

Molecular Properties

Compound Namebenzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid
PubChem CID67153231
Molecular FormulaC15H14NO4P
Molecular Weight303.25 g/mol
Exact Mass303.07
IUPAC Namebenzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid
SMILESO=C(NP(=O)(O)Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H14NO4P/c17-14(13-9-5-2-6-10-13)15(18)16-21(19,20)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,18,19,20)
InChIKeyCCWQXSNUJPTXCL-UHFFFAOYSA-N
XLogP2.37
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]phosphonamidic acid
CID 54530386
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid
CID 18472741
N'-(2-oxo-2-phenylacetyl)benzohydrazide
CID 12792453
1,2-diphenylethane-1,2-dione bromide
CID 86754555
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-2-oxo-2-phenylacetamide
CID 139864247
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
2-[benzyl(carboxymethyl)phosphoryl]acetic acid
CID 67745759

Frequently Asked Questions

What is the IUPAC name of benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid?
The IUPAC name of benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid (CID 67153231) is benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid.
What is the SMILES notation for benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid?
The canonical SMILES for benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid is O=C(NP(=O)(O)Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid?
The InChIKey is CCWQXSNUJPTXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NO4P/c17-14(13-9-5-2-6-10-13)15(18)16-21(19,20)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,18,19,20).
What are the key properties of benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid?
benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid has a molecular weight of 303.25 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-N-(2-oxo-2-phenylacetyl)phosphonamidic acid is sourced from PubChem (CID 67153231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).