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

C22H28Cl2NO6P — CID 57328666

IUPAC2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide
SMILESCCCOP(=O)(OCCC)C(NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C22H28Cl2NO6P/c1-4-12-30-32(27,31-13-5-2)22(16-6-9-18(28-3)10-7-16)25-21(26)15-29-20-11-8-17(23)14-19(20)24/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,25,26)
InChIKeyPCMUBGUVLWETIV-UHFFFAOYSA-N
MW504.35 g/mol
LogP6.24
Rot. Bonds13

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

2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide (PubChem CID 57328666) has the molecular formula C22H28Cl2NO6P and a molecular weight of 504.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide
PubChem CID57328666
Molecular FormulaC22H28Cl2NO6P
Molecular Weight504.35 g/mol
Exact Mass503.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide
SMILESCCCOP(=O)(OCCC)C(NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C22H28Cl2NO6P/c1-4-12-30-32(27,31-13-5-2)22(16-6-9-18(28-3)10-7-16)25-21(26)15-29-20-11-8-17(23)14-19(20)24/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,25,26)
InChIKeyPCMUBGUVLWETIV-UHFFFAOYSA-N
XLogP6.24
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.35
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide
CID 3663558
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132657832
N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 57328667
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99993791
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
CID 4938584
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
[[2-(2,4-dichlorophenoxy)acetyl]oxy-(4-methoxyphenyl)methyl]-methoxyphosphinic acid
CID 11408071
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 28958551
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]acetamide
CID 4582547
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide (CID 57328666) is 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide is CCCOP(=O)(OCCC)C(NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PCMUBGUVLWETIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2NO6P/c1-4-12-30-32(27,31-13-5-2)22(16-6-9-18(28-3)10-7-16)25-21(26)15-29-20-11-8-17(23)14-19(20)24/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,25,26).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide has a molecular weight of 504.35 g/mol, XLogP of 6.24, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 57328666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).