[2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate

C22H20NO4P — CID 3502851

IUPAC[2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate
SMILESCC(=O)Nc1ccccc1P(=O)(c1ccccc1)c1ccccc1OC(C)=O
InChIInChI=1S/C22H20NO4P/c1-16(24)23-19-12-6-8-14-21(19)28(26,18-10-4-3-5-11-18)22-15-9-7-13-20(22)27-17(2)25/h3-15H,1-2H3,(H,23,24)
InChIKeyNYJGIOQAJBYYBQ-UHFFFAOYSA-N
MW393.38 g/mol
LogP3.21
Rot. Bonds5

About [2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate

[2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate (PubChem CID 3502851) has the molecular formula C22H20NO4P and a molecular weight of 393.38 g/mol. Its IUPAC name is [2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate
PubChem CID3502851
Molecular FormulaC22H20NO4P
Molecular Weight393.38 g/mol
Exact Mass393.11
IUPAC Name[2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate
SMILESCC(=O)Nc1ccccc1P(=O)(c1ccccc1)c1ccccc1OC(C)=O
InChIInChI=1S/C22H20NO4P/c1-16(24)23-19-12-6-8-14-21(19)28(26,18-10-4-3-5-11-18)22-15-9-7-13-20(22)27-17(2)25/h3-15H,1-2H3,(H,23,24)
InChIKeyNYJGIOQAJBYYBQ-UHFFFAOYSA-N
XLogP3.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-diphenylphosphorylphenyl)acetamide
CID 71531508
1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
CID 144799075
(2-acetamidophenyl)methyl 2-acetyloxybenzoate
CID 20571663
N-(3-diphenylphosphoryl-4-methoxyphenyl)acetamide
CID 3921981
(2-acetamidophenyl) hypochlorite
CID 150463309
[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
N-(2-ethenoxyphenyl)acetamide
CID 66367179
[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
N-[2-[(E)-prop-1-enoxy]phenyl]acetamide
CID 22313764
[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 720313
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
(4-acetamidoanthracen-1-yl) acetate
CID 175270298

Frequently Asked Questions

What is the IUPAC name of [2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate?
The IUPAC name of [2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate (CID 3502851) is [2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate.
What is the SMILES notation for [2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate?
The canonical SMILES for [2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate is CC(=O)Nc1ccccc1P(=O)(c1ccccc1)c1ccccc1OC(C)=O.
What is the InChIKey of [2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate?
The InChIKey is NYJGIOQAJBYYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20NO4P/c1-16(24)23-19-12-6-8-14-21(19)28(26,18-10-4-3-5-11-18)22-15-9-7-13-20(22)27-17(2)25/h3-15H,1-2H3,(H,23,24).
What are the key properties of [2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate?
[2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate has a molecular weight of 393.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate is sourced from PubChem (CID 3502851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).