N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide

C21H15Cl2FNO2P — CID 4603771

IUPACN-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide
SMILESO=C(NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H15Cl2FNO2P/c22-19(23)21(25-20(26)15-11-13-16(24)14-12-15)28(27,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H,25,26)
InChIKeyAAAWDESCCWQWSZ-UHFFFAOYSA-N
MW434.23 g/mol
LogP5.17
Rot. Bonds5

About N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide

N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide (PubChem CID 4603771) has the molecular formula C21H15Cl2FNO2P and a molecular weight of 434.23 g/mol. Its IUPAC name is N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide
PubChem CID4603771
Molecular FormulaC21H15Cl2FNO2P
Molecular Weight434.23 g/mol
Exact Mass433.02
IUPAC NameN-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide
SMILESO=C(NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H15Cl2FNO2P/c22-19(23)21(25-20(26)15-11-13-16(24)14-12-15)28(27,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H,25,26)
InChIKeyAAAWDESCCWQWSZ-UHFFFAOYSA-N
XLogP5.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.23
LogP ≤ 55.17
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

N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide
CID 3090259
[(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium
CID 11964770
N-(dimethylcarbamoyl)-4-fluorobenzamide
CID 134890610
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide
CID 3883707
[1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium perchlorate
CID 45048396
[(Z)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium perchlorate
CID 90489741
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-4-fluorobenzamide
CID 3503580
4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide
CID 815847
(4-fluorophenyl)-phenylmethanone
CID 161464622
N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
CID 2324721
(2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid
CID 171561206

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide?
The IUPAC name of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide (CID 4603771) is N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide?
The canonical SMILES for N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide is O=C(NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide?
The InChIKey is AAAWDESCCWQWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FNO2P/c22-19(23)21(25-20(26)15-11-13-16(24)14-12-15)28(27,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H,25,26).
What are the key properties of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide?
N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide has a molecular weight of 434.23 g/mol, XLogP of 5.17, 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)-4-fluorobenzamide is sourced from PubChem (CID 4603771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).