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

C22H18Cl2NO2P — CID 3090259

IUPACN-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=C(Cl)Cl)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18Cl2NO2P/c1-16-12-14-17(15-13-16)21(26)25-22(20(23)24)28(27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26)
InChIKeyWLOXPJPADJDQGM-UHFFFAOYSA-N
MW430.27 g/mol
LogP5.34
Rot. Bonds5

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

N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide (PubChem CID 3090259) has the molecular formula C22H18Cl2NO2P and a molecular weight of 430.27 g/mol. Its IUPAC name is N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide
PubChem CID3090259
Molecular FormulaC22H18Cl2NO2P
Molecular Weight430.27 g/mol
Exact Mass429.05
IUPAC NameN-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=C(Cl)Cl)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18Cl2NO2P/c1-16-12-14-17(15-13-16)21(26)25-22(20(23)24)28(27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26)
InChIKeyWLOXPJPADJDQGM-UHFFFAOYSA-N
XLogP5.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.27
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide 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

N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-fluorobenzamide
CID 4603771
N-[2-chloro-1-diphenylphosphoryl-2-(4-methylphenyl)sulfanylethenyl]benzamide
CID 3438754
(4-methylbenzoyl)carbamic acid
CID 89120559
[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride
CID 11964917
N,4-dimethylbenzamide;ethane;toluene
CID 143677670
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone
CID 154663446
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide
CID 2305792
1-[(1E,3E)-4-diphenylphosphoryl-4-(4-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
CID 11532149
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide?
The IUPAC name of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide (CID 3090259) is N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide.
What is the SMILES notation for N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide?
The canonical SMILES for N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide is Cc1ccc(C(=O)NC(=C(Cl)Cl)P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide?
The InChIKey is WLOXPJPADJDQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2NO2P/c1-16-12-14-17(15-13-16)21(26)25-22(20(23)24)28(27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26).
What are the key properties of N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide?
N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide has a molecular weight of 430.27 g/mol, XLogP of 5.34, 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-methylbenzamide is sourced from PubChem (CID 3090259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).