2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide

C21H26Cl2NO5P — CID 3663558

IUPAC2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide
SMILESCCCOP(=O)(OCCC)C(NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C21H26Cl2NO5P/c1-3-12-28-30(26,29-13-4-2)21(16-8-6-5-7-9-16)24-20(25)15-27-19-11-10-17(22)14-18(19)23/h5-11,14,21H,3-4,12-13,15H2,1-2H3,(H,24,25)
InChIKeyTUAFMMJKSBFGJP-UHFFFAOYSA-N
MW474.32 g/mol
LogP6.23
Rot. Bonds12

About 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide

2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide (PubChem CID 3663558) has the molecular formula C21H26Cl2NO5P and a molecular weight of 474.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide
PubChem CID3663558
Molecular FormulaC21H26Cl2NO5P
Molecular Weight474.32 g/mol
Exact Mass473.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide
SMILESCCCOP(=O)(OCCC)C(NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C21H26Cl2NO5P/c1-3-12-28-30(26,29-13-4-2)21(16-8-6-5-7-9-16)24-20(25)15-27-19-11-10-17(22)14-18(19)23/h5-11,14,21H,3-4,12-13,15H2,1-2H3,(H,24,25)
InChIKeyTUAFMMJKSBFGJP-UHFFFAOYSA-N
XLogP6.23
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.32
LogP ≤ 56.23
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

2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide
CID 57328666
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7516791
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethylsulfonylbutanoic acid
CID 108755232
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733
2-(2,4-dichlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785241
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394
(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 6961899

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide (CID 3663558) is 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide is CCCOP(=O)(OCCC)C(NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide?
The InChIKey is TUAFMMJKSBFGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2NO5P/c1-3-12-28-30(26,29-13-4-2)21(16-8-6-5-7-9-16)24-20(25)15-27-19-11-10-17(22)14-18(19)23/h5-11,14,21H,3-4,12-13,15H2,1-2H3,(H,24,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide has a molecular weight of 474.32 g/mol, XLogP of 6.23, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide is sourced from PubChem (CID 3663558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).