2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide

C17H27ClNO4P — CID 15685142

IUPAC2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide
SMILESCCOP(=O)(CN(C(=O)CCl)c1c(CC)cccc1CC)OCC
InChIInChI=1S/C17H27ClNO4P/c1-5-14-10-9-11-15(6-2)17(14)19(16(20)12-18)13-24(21,22-7-3)23-8-4/h9-11H,5-8,12-13H2,1-4H3
InChIKeyGINDXQUJUSCIFI-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.61
Rot. Bonds10

About 2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide

2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide (PubChem CID 15685142) has the molecular formula C17H27ClNO4P and a molecular weight of 375.83 g/mol. Its IUPAC name is 2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide
PubChem CID15685142
Molecular FormulaC17H27ClNO4P
Molecular Weight375.83 g/mol
Exact Mass375.14
IUPAC Name2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide
SMILESCCOP(=O)(CN(C(=O)CCl)c1c(CC)cccc1CC)OCC
InChIInChI=1S/C17H27ClNO4P/c1-5-14-10-9-11-15(6-2)17(14)19(16(20)12-18)13-24(21,22-7-3)23-8-4/h9-11H,5-8,12-13H2,1-4H3
InChIKeyGINDXQUJUSCIFI-UHFFFAOYSA-N
XLogP4.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 6448437
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163
2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide
CID 12769785
2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide
CID 21403992
N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 19873472
2-chloro-N-(2,6-diethylphenyl)-N-(1,3-dioxepan-2-ylmethyl)acetamide
CID 21403978
N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 88710767
2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 154111334
2-chloro-N-(2,6-diethylphenyl)-N-[(4,6-dimethyl-1,3-dithian-2-yl)methyl]acetamide
CID 21403924
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720
2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide
CID 70614092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide (CID 15685142) is 2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide is CCOP(=O)(CN(C(=O)CCl)c1c(CC)cccc1CC)OCC.
What is the InChIKey of 2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide?
The InChIKey is GINDXQUJUSCIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClNO4P/c1-5-14-10-9-11-15(6-2)17(14)19(16(20)12-18)13-24(21,22-7-3)23-8-4/h9-11H,5-8,12-13H2,1-4H3.
What are the key properties of 2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide?
2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide has a molecular weight of 375.83 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 15685142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).