5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide

C25H18Cl2NO3P — CID 121416150

IUPAC5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18Cl2NO3P/c26-18-11-14-20(15-12-18)28-25(29)23-17-19(27)13-16-24(23)31-32(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-17H,(H,28,29)
InChIKeyDOYNNTOILYWAOL-UHFFFAOYSA-N
MW482.30 g/mol
LogP6.55
Rot. Bonds6

About 5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide

5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide (PubChem CID 121416150) has the molecular formula C25H18Cl2NO3P and a molecular weight of 482.30 g/mol. Its IUPAC name is 5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide
PubChem CID121416150
Molecular FormulaC25H18Cl2NO3P
Molecular Weight482.30 g/mol
Exact Mass481.04
IUPAC Name5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18Cl2NO3P/c26-18-11-14-20(15-12-18)28-25(29)23-17-19(27)13-16-24(23)31-32(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-17H,(H,28,29)
InChIKeyDOYNNTOILYWAOL-UHFFFAOYSA-N
XLogP6.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.30
LogP ≤ 56.55
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

N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide
CID 121416151
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
CID 127028067
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] diethyl phosphate
CID 73334324
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
CID 35214415
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
5-chloro-2-[2-(cyclohexylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893364
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 44574093
sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate
CID 102504156
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide?
The IUPAC name of 5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide (CID 121416150) is 5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide.
What is the SMILES notation for 5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide?
The canonical SMILES for 5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide is O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1OP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide?
The InChIKey is DOYNNTOILYWAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2NO3P/c26-18-11-14-20(15-12-18)28-25(29)23-17-19(27)13-16-24(23)31-32(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-17H,(H,28,29).
What are the key properties of 5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide?
5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide has a molecular weight of 482.30 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide is sourced from PubChem (CID 121416150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).