2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide

C23H31ClNO5P — CID 57328669

IUPAC2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide
SMILESCCCCOP(=O)(OCCCC)C(NC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C23H31ClNO5P/c1-3-5-16-29-31(27,30-17-6-4-2)23(19-12-8-7-9-13-19)25-22(26)18-28-21-15-11-10-14-20(21)24/h7-15,23H,3-6,16-18H2,1-2H3,(H,25,26)
InChIKeyDGTFCINWQRHZTE-UHFFFAOYSA-N
MW467.93 g/mol
LogP6.36
Rot. Bonds14

About 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide

2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide (PubChem CID 57328669) has the molecular formula C23H31ClNO5P and a molecular weight of 467.93 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide
PubChem CID57328669
Molecular FormulaC23H31ClNO5P
Molecular Weight467.93 g/mol
Exact Mass467.16
IUPAC Name2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide
SMILESCCCCOP(=O)(OCCCC)C(NC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C23H31ClNO5P/c1-3-5-16-29-31(27,30-17-6-4-2)23(19-12-8-7-9-13-19)25-22(26)18-28-21-15-11-10-14-20(21)24/h7-15,23H,3-6,16-18H2,1-2H3,(H,25,26)
InChIKeyDGTFCINWQRHZTE-UHFFFAOYSA-N
XLogP6.36
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.93
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide (CID 57328669) is 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide is CCCCOP(=O)(OCCCC)C(NC(=O)COc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide?
The InChIKey is DGTFCINWQRHZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClNO5P/c1-3-5-16-29-31(27,30-17-6-4-2)23(19-12-8-7-9-13-19)25-22(26)18-28-21-15-11-10-14-20(21)24/h7-15,23H,3-6,16-18H2,1-2H3,(H,25,26).
What are the key properties of 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide?
2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide has a molecular weight of 467.93 g/mol, XLogP of 6.36, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl(phenyl)methyl]acetamide is sourced from PubChem (CID 57328669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).