1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone

C18H20ClFNO4P — CID 101459764

IUPAC1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone
SMILESCCOP(=O)(OCC)N(CC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFNO4P/c1-3-24-26(23,25-4-2)21(17-11-9-16(20)10-12-17)13-18(22)14-5-7-15(19)8-6-14/h5-12H,3-4,13H2,1-2H3
InChIKeyFGOWZSPWJKTCNH-UHFFFAOYSA-N
MW399.79 g/mol
LogP5.35
Rot. Bonds9

About 1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone

1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone (PubChem CID 101459764) has the molecular formula C18H20ClFNO4P and a molecular weight of 399.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone
PubChem CID101459764
Molecular FormulaC18H20ClFNO4P
Molecular Weight399.79 g/mol
Exact Mass399.08
IUPAC Name1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone
SMILESCCOP(=O)(OCC)N(CC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFNO4P/c1-3-24-26(23,25-4-2)21(17-11-9-16(20)10-12-17)13-18(22)14-5-7-15(19)8-6-14/h5-12H,3-4,13H2,1-2H3
InChIKeyFGOWZSPWJKTCNH-UHFFFAOYSA-N
XLogP5.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.79
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone (CID 101459764) is 1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone is CCOP(=O)(OCC)N(CC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone?
The InChIKey is FGOWZSPWJKTCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFNO4P/c1-3-24-26(23,25-4-2)21(17-11-9-16(20)10-12-17)13-18(22)14-5-7-15(19)8-6-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone?
1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone has a molecular weight of 399.79 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone is sourced from PubChem (CID 101459764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).