N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide

C25H25Cl2N2O5P — CID 5010848

IUPACN-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC(c1ccc(Cl)cc1Cl)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C25H25Cl2N2O5P/c26-19-11-12-22(23(27)17-19)25(28-24(30)18-29-13-15-32-16-14-29)35(31,33-20-7-3-1-4-8-20)34-21-9-5-2-6-10-21/h1-12,17,25H,13-16,18H2,(H,28,30)
InChIKeyAIFTVRAEKOGTQQ-UHFFFAOYSA-N
MW535.36 g/mol
LogP5.79
Rot. Bonds9

About N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide

N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide (PubChem CID 5010848) has the molecular formula C25H25Cl2N2O5P and a molecular weight of 535.36 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide
PubChem CID5010848
Molecular FormulaC25H25Cl2N2O5P
Molecular Weight535.36 g/mol
Exact Mass534.09
IUPAC NameN-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC(c1ccc(Cl)cc1Cl)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C25H25Cl2N2O5P/c26-19-11-12-22(23(27)17-19)25(28-24(30)18-29-13-15-32-16-14-29)35(31,33-20-7-3-1-4-8-20)34-21-9-5-2-6-10-21/h1-12,17,25H,13-16,18H2,(H,28,30)
InChIKeyAIFTVRAEKOGTQQ-UHFFFAOYSA-N
XLogP5.79
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.36
LogP ≤ 55.79
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

N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide
CID 3302290
N-[1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 55470483
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894515
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894518
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
N-[1-(3-chlorophenyl)cyclopropyl]-2-morpholin-4-ylacetamide
CID 110444239
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677677
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 30725870
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 51928393
4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide
CID 86969617

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide (CID 5010848) is N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NC(c1ccc(Cl)cc1Cl)P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide?
The InChIKey is AIFTVRAEKOGTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N2O5P/c26-19-11-12-22(23(27)17-19)25(28-24(30)18-29-13-15-32-16-14-29)35(31,33-20-7-3-1-4-8-20)34-21-9-5-2-6-10-21/h1-12,17,25H,13-16,18H2,(H,28,30).
What are the key properties of N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide?
N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide has a molecular weight of 535.36 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-diphenoxyphosphorylmethyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 5010848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).