2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide

C17H15Cl3NO3P — CID 2305792

IUPAC2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide
SMILESCCOP(=O)(C(NC(=O)c1ccccc1Cl)=C(Cl)Cl)c1ccccc1
InChIInChI=1S/C17H15Cl3NO3P/c1-2-24-25(23,12-8-4-3-5-9-12)17(15(19)20)21-16(22)13-10-6-7-11-14(13)18/h3-11H,2H2,1H3,(H,21,22)
InChIKeyVMAVKJVESZOFOO-UHFFFAOYSA-N
MW418.64 g/mol
LogP5.31
Rot. Bonds6

About 2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide

2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide (PubChem CID 2305792) has the molecular formula C17H15Cl3NO3P and a molecular weight of 418.64 g/mol. Its IUPAC name is 2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide
PubChem CID2305792
Molecular FormulaC17H15Cl3NO3P
Molecular Weight418.64 g/mol
Exact Mass416.99
IUPAC Name2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide
SMILESCCOP(=O)(C(NC(=O)c1ccccc1Cl)=C(Cl)Cl)c1ccccc1
InChIInChI=1S/C17H15Cl3NO3P/c1-2-24-25(23,12-8-4-3-5-9-12)17(15(19)20)21-16(22)13-10-6-7-11-14(13)18/h3-11H,2H2,1H3,(H,21,22)
InChIKeyVMAVKJVESZOFOO-UHFFFAOYSA-N
XLogP5.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.64
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]-3-phenylprop-2-enamide
CID 11864836
N-[(E)-2-chloro-2-(4-chlorophenyl)sulfanyl-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide
CID 35453094
N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide
CID 7090611
[ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone
CID 171613029
(E)-2-benzamido-3-[ethoxy(phenyl)phosphoryl]-3-phenylprop-2-enoic acid
CID 11863428
(Z)-2-benzamido-3-[ethoxy(phenyl)phosphoryl]-3-phenylprop-2-enoic acid
CID 2053046
N-(2,2-dichloro-1-diphenylphosphorylethenyl)-4-methylbenzamide
CID 3090259
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid
CID 70817327
2-chloro-N'-diethoxyphosphorylbenzenecarboximidamide
CID 165350563
2-chloro-N-[(3-ethoxy-4-phenylphenyl)carbamothioyl]benzamide
CID 134110313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide?
The IUPAC name of 2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide (CID 2305792) is 2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide is CCOP(=O)(C(NC(=O)c1ccccc1Cl)=C(Cl)Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide?
The InChIKey is VMAVKJVESZOFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3NO3P/c1-2-24-25(23,12-8-4-3-5-9-12)17(15(19)20)21-16(22)13-10-6-7-11-14(13)18/h3-11H,2H2,1H3,(H,21,22).
What are the key properties of 2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide?
2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide has a molecular weight of 418.64 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide is sourced from PubChem (CID 2305792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).