N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide

C12H17ClNO4P — CID 101478082

IUPACN-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide
SMILESCOP(=O)(C[C@@H](NC(C)=O)c1ccc(Cl)cc1)OC
InChIInChI=1S/C12H17ClNO4P/c1-9(15)14-12(8-19(16,17-2)18-3)10-4-6-11(13)7-5-10/h4-7,12H,8H2,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeyGTAIQFYCEQMRDT-GFCCVEGCSA-N
MW305.70 g/mol
LogP3.00
Rot. Bonds6

About N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide

N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide (PubChem CID 101478082) has the molecular formula C12H17ClNO4P and a molecular weight of 305.70 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide
PubChem CID101478082
Molecular FormulaC12H17ClNO4P
Molecular Weight305.70 g/mol
Exact Mass305.06
IUPAC NameN-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide
SMILESCOP(=O)(C[C@@H](NC(C)=O)c1ccc(Cl)cc1)OC
InChIInChI=1S/C12H17ClNO4P/c1-9(15)14-12(8-19(16,17-2)18-3)10-4-6-11(13)7-5-10/h4-7,12H,8H2,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeyGTAIQFYCEQMRDT-GFCCVEGCSA-N
XLogP3.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide
CID 143788152
N-[1-(4-chlorophenyl)pentyl]acetamide
CID 23652178
methyl (2S)-2-[(4-chlorophenyl)methyl]-3-dimethoxyphosphorylpropanoate
CID 102381122
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818717
[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl] benzoate
CID 57380249
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754
N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
CID 67575764
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide (CID 101478082) is N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide is COP(=O)(C[C@@H](NC(C)=O)c1ccc(Cl)cc1)OC.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide?
The InChIKey is GTAIQFYCEQMRDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17ClNO4P/c1-9(15)14-12(8-19(16,17-2)18-3)10-4-6-11(13)7-5-10/h4-7,12H,8H2,1-3H3,(H,14,15)/t12-/m1/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide?
N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide has a molecular weight of 305.70 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide is sourced from PubChem (CID 101478082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).