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

C25H18BrClNO3P — CID 121416151

IUPACN-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Cl)ccc1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18BrClNO3P/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)
InChIKeyMZQWJPYBKZGRDV-UHFFFAOYSA-N
MW526.75 g/mol
LogP6.66
Rot. Bonds6

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

N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide (PubChem CID 121416151) has the molecular formula C25H18BrClNO3P and a molecular weight of 526.75 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide
PubChem CID121416151
Molecular FormulaC25H18BrClNO3P
Molecular Weight526.75 g/mol
Exact Mass524.99
IUPAC NameN-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Cl)ccc1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18BrClNO3P/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)
InChIKeyMZQWJPYBKZGRDV-UHFFFAOYSA-N
XLogP6.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.75
LogP ≤ 56.66
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

5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide
CID 121416150
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
CID 127028067
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
CID 35214415
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] diethyl phosphate
CID 73334324
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene
CID 175227137
N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 35275447
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
N-(4-bromo-3-methylphenyl)-5-chloro-2-methoxybenzamide
CID 2198688
[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate
CID 118707131
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide?
The IUPAC name of N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide (CID 121416151) is N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide.
What is the SMILES notation for N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide?
The canonical SMILES for N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide is O=C(Nc1ccc(Br)cc1)c1cc(Cl)ccc1OP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide?
The InChIKey is MZQWJPYBKZGRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrClNO3P/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 N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide?
N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide has a molecular weight of 526.75 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide is sourced from PubChem (CID 121416151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).