2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene

C21H19Cl3NO5PS — CID 19390439

IUPAC2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene
SMILESCOP(=O)(OC)Sc1cc(Cl)c(Cl)cc1Cl.O=C(Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H11NO2.C8H8Cl3O3PS/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10;1-13-15(12,14-2)16-8-4-6(10)5(9)3-7(8)11/h1-9,15H,(H,14,16);3-4H,1-2H3
InChIKeyUXTGVUZHVPZRQZ-UHFFFAOYSA-N
MW534.79 g/mol
LogP7.78
Rot. Bonds6

About 2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene

2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene (PubChem CID 19390439) has the molecular formula C21H19Cl3NO5PS and a molecular weight of 534.79 g/mol. Its IUPAC name is 2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene.

Molecular Properties

Compound Name2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene
PubChem CID19390439
Molecular FormulaC21H19Cl3NO5PS
Molecular Weight534.79 g/mol
Exact Mass532.98
IUPAC Name2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene
SMILESCOP(=O)(OC)Sc1cc(Cl)c(Cl)cc1Cl.O=C(Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H11NO2.C8H8Cl3O3PS/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10;1-13-15(12,14-2)16-8-4-6(10)5(9)3-7(8)11/h1-9,15H,(H,14,16);3-4H,1-2H3
InChIKeyUXTGVUZHVPZRQZ-UHFFFAOYSA-N
XLogP7.78
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.79
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-hydroxy-N-phenylbenzamide
CID 157209959
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
3,4-dichloro-N-[4-[(2-hydroxybenzoyl)amino]phenyl]benzamide
CID 624416
2-hydroxy-N-phenylbenzamide;methyl 2,2-bis(4-hydroxyphenyl)acetate
CID 67727277
2-hydroxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 112810264
4-amino-2-chloro-5-methoxy-N-phenylbenzamide
CID 66664690
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene?
The IUPAC name of 2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene (CID 19390439) is 2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene.
What is the SMILES notation for 2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene?
The canonical SMILES for 2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene is COP(=O)(OC)Sc1cc(Cl)c(Cl)cc1Cl.O=C(Nc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene?
The InChIKey is UXTGVUZHVPZRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2.C8H8Cl3O3PS/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10;1-13-15(12,14-2)16-8-4-6(10)5(9)3-7(8)11/h1-9,15H,(H,14,16);3-4H,1-2H3.
What are the key properties of 2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene?
2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene has a molecular weight of 534.79 g/mol, XLogP of 7.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-phenylbenzamide;1,2,4-trichloro-5-dimethoxyphosphorylsulfanylbenzene is sourced from PubChem (CID 19390439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).