N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide

C12H15ClNO4P — CID 101478074

IUPACN-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide
SMILESCOP(=O)(/C=C(\NC(C)=O)c1ccc(Cl)cc1)OC
InChIInChI=1S/C12H15ClNO4P/c1-9(15)14-12(8-19(16,17-2)18-3)10-4-6-11(13)7-5-10/h4-8H,1-3H3,(H,14,15)/b12-8-
InChIKeyQKRXISZBIFMEOI-WQLSENKSSA-N
MW303.68 g/mol
LogP3.26
Rot. Bonds5

About N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide

N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide (PubChem CID 101478074) has the molecular formula C12H15ClNO4P and a molecular weight of 303.68 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide
PubChem CID101478074
Molecular FormulaC12H15ClNO4P
Molecular Weight303.68 g/mol
Exact Mass303.04
IUPAC NameN-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide
SMILESCOP(=O)(/C=C(\NC(C)=O)c1ccc(Cl)cc1)OC
InChIInChI=1S/C12H15ClNO4P/c1-9(15)14-12(8-19(16,17-2)18-3)10-4-6-11(13)7-5-10/h4-8H,1-3H3,(H,14,15)/b12-8-
InChIKeyQKRXISZBIFMEOI-WQLSENKSSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.68
LogP ≤ 53.26
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

N-[1-(4-chlorophenyl)prop-1-enyl]acetamide
CID 54375508
N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide
CID 121221706
N-acetyl-4-chlorobenzamide
CID 11735747
ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
CID 11334658
N'-acetyl-4-chlorobenzohydrazide
CID 799230
4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate
CID 2384695
methyl (Z)-3-(4-chlorophenyl)-4-dimethoxyphosphorylbut-2-enoate
CID 50907879
N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide
CID 101478082
(Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
CID 7018978
4-chloro-N-propan-2-ylbenzamide
CID 24045
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide (CID 101478074) is N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide is COP(=O)(/C=C(\NC(C)=O)c1ccc(Cl)cc1)OC.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide?
The InChIKey is QKRXISZBIFMEOI-WQLSENKSSA-N. The full InChI is InChI=1S/C12H15ClNO4P/c1-9(15)14-12(8-19(16,17-2)18-3)10-4-6-11(13)7-5-10/h4-8H,1-3H3,(H,14,15)/b12-8-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide?
N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide has a molecular weight of 303.68 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide is sourced from PubChem (CID 101478074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).