N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide

C12H15FNO4P — CID 101186294

IUPACN-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide
SMILESCOP(=O)(OC)/C(=C\c1ccc(F)cc1)NC(C)=O
InChIInChI=1S/C12H15FNO4P/c1-9(15)14-12(19(16,17-2)18-3)8-10-4-6-11(13)7-5-10/h4-8H,1-3H3,(H,14,15)/b12-8-
InChIKeyRXTHNHRDCVXKDY-WQLSENKSSA-N
MW287.23 g/mol
LogP2.75
Rot. Bonds5

About N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide

N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide (PubChem CID 101186294) has the molecular formula C12H15FNO4P and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide
PubChem CID101186294
Molecular FormulaC12H15FNO4P
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC NameN-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide
SMILESCOP(=O)(OC)/C(=C\c1ccc(F)cc1)NC(C)=O
InChIInChI=1S/C12H15FNO4P/c1-9(15)14-12(19(16,17-2)18-3)8-10-4-6-11(13)7-5-10/h4-8H,1-3H3,(H,14,15)/b12-8-
InChIKeyRXTHNHRDCVXKDY-WQLSENKSSA-N
XLogP2.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 5399285
N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide
CID 134104686
methyl (2E)-2-[(4-fluorophenyl)methylidene]-3-oxopentanoate
CID 15924232
(E)-4-(4-fluorophenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435524
(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate
CID 2279163
2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate
CID 174495594
(E)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethenol
CID 13199975
4-fluorobenzaldehyde;3-(4-fluorophenyl)-2-methylprop-2-enoic acid
CID 159204345
1-dimethoxyphosphoryl-N-(4-fluorophenyl)methanethioamide
CID 138972119
(E)-2-(4-chlorophenyl)-1-dimethoxyphosphorylethenol
CID 13199973
(E)-1-dimethoxyphosphoryl-2-phenylethenol
CID 14736137
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide?
The IUPAC name of N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide (CID 101186294) is N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide.
What is the SMILES notation for N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide?
The canonical SMILES for N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide is COP(=O)(OC)/C(=C\c1ccc(F)cc1)NC(C)=O.
What is the InChIKey of N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide?
The InChIKey is RXTHNHRDCVXKDY-WQLSENKSSA-N. The full InChI is InChI=1S/C12H15FNO4P/c1-9(15)14-12(19(16,17-2)18-3)8-10-4-6-11(13)7-5-10/h4-8H,1-3H3,(H,14,15)/b12-8-.
What are the key properties of N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide?
N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide has a molecular weight of 287.23 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-dimethoxyphosphoryl-2-(4-fluorophenyl)ethenyl]acetamide is sourced from PubChem (CID 101186294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).