dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate

C27H24NO5P — CID 121427861

IUPACdibenzyl [2-(phenylcarbamoyl)phenyl] phosphate
SMILESO=C(Nc1ccccc1)c1ccccc1OP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C27H24NO5P/c29-27(28-24-16-8-3-9-17-24)25-18-10-11-19-26(25)33-34(30,31-20-22-12-4-1-5-13-22)32-21-23-14-6-2-7-15-23/h1-19H,20-21H2,(H,28,29)
InChIKeyYMVNDSGYOLXKDC-UHFFFAOYSA-N
MW473.47 g/mol
LogP6.86
Rot. Bonds10

About dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate

dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate (PubChem CID 121427861) has the molecular formula C27H24NO5P and a molecular weight of 473.47 g/mol. Its IUPAC name is dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate.

Molecular Properties

Compound Namedibenzyl [2-(phenylcarbamoyl)phenyl] phosphate
PubChem CID121427861
Molecular FormulaC27H24NO5P
Molecular Weight473.47 g/mol
Exact Mass473.14
IUPAC Namedibenzyl [2-(phenylcarbamoyl)phenyl] phosphate
SMILESO=C(Nc1ccccc1)c1ccccc1OP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C27H24NO5P/c29-27(28-24-16-8-3-9-17-24)25-18-10-11-19-26(25)33-34(30,31-20-22-12-4-1-5-13-22)32-21-23-14-6-2-7-15-23/h1-19H,20-21H2,(H,28,29)
InChIKeyYMVNDSGYOLXKDC-UHFFFAOYSA-N
XLogP6.86
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.47
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tris[2-(phenylcarbamoyl)phenyl] phosphate
CID 121416140
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
2-[2-oxo-2-(2-phenylethylamino)ethoxy]-N-phenylbenzamide
CID 2535242
methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate
CID 7919593
2-phenoxy-N-phenylbenzamide
CID 3402306
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
2-naphthalen-1-ylperoxy-N-phenylbenzamide
CID 57106650
2-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethoxy]-N-phenylbenzamide
CID 7981006
2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide
CID 60558943
[4-(phenylcarbamoyl)phenyl]methyl 2-methylsulfonylbenzoate
CID 7724467
[4-(phenylcarbamoyl)phenyl]methyl nitrate
CID 56659561
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435

Frequently Asked Questions

What is the IUPAC name of dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate?
The IUPAC name of dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate (CID 121427861) is dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate.
What is the SMILES notation for dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate?
The canonical SMILES for dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate is O=C(Nc1ccccc1)c1ccccc1OP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate?
The InChIKey is YMVNDSGYOLXKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24NO5P/c29-27(28-24-16-8-3-9-17-24)25-18-10-11-19-26(25)33-34(30,31-20-22-12-4-1-5-13-22)32-21-23-14-6-2-7-15-23/h1-19H,20-21H2,(H,28,29).
What are the key properties of dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate?
dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate has a molecular weight of 473.47 g/mol, XLogP of 6.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate is sourced from PubChem (CID 121427861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).