N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide

C16H13Cl2FNO2P — CID 1180558

IUPACN-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide
SMILESO=C(CF)NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13Cl2FNO2P/c17-15(18)16(20-14(21)11-19)23(22,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21)
InChIKeyPQHZNYQCLRWJPG-UHFFFAOYSA-N
MW372.16 g/mol
LogP3.69
Rot. Bonds5

About N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide

N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide (PubChem CID 1180558) has the molecular formula C16H13Cl2FNO2P and a molecular weight of 372.16 g/mol. Its IUPAC name is N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide.

Molecular Properties

Compound NameN-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide
PubChem CID1180558
Molecular FormulaC16H13Cl2FNO2P
Molecular Weight372.16 g/mol
Exact Mass371.00
IUPAC NameN-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide
SMILESO=C(CF)NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13Cl2FNO2P/c17-15(18)16(20-14(21)11-19)23(22,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21)
InChIKeyPQHZNYQCLRWJPG-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,2-dichloro-1-(diphenylphosphoryl)vinylcarbamate
CID 1534660
(1-Acetamido-2,2-dichloroethenyl)(triphenyl)phosphanium perchlorate
CID 45048104
(1-Acetylamino-2,2-dichloro-vinyl)-triphenyl-phosphonium, iodide
CID 126960209
(1-Acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride
CID 10983247
N-[2,2-dichloro-1-[chloro(triphenyl)-lambda5-phosphanyl]ethenyl]-2-fluoroacetamide
CID 140527072
[[(E)-1-acetamido-2-chloroethenyl]-triphenyl-lambda5-phosphanyl] perchlorate
CID 12266339
2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
CID 2303502
2,2,2-trifluoro-N-[(1R)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
CID 2303503
2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
CID 2325301
2-fluoro-N-[(1R)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
CID 2325302
(1-Acetamido-2,2-dichloroethenyl)-triphenylphosphanium
CID 3089990
[2,2-Dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium
CID 3366130

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide?
The IUPAC name of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide (CID 1180558) is N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide.
What is the SMILES notation for N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide?
The canonical SMILES for N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide is O=C(CF)NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide?
The InChIKey is PQHZNYQCLRWJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FNO2P/c17-15(18)16(20-14(21)11-19)23(22,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21).
What are the key properties of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide?
N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide has a molecular weight of 372.16 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloro-1-diphenylphosphorylethenyl)-2-fluoroacetamide is sourced from PubChem (CID 1180558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).