2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide

C20H17BrNO3P — CID 156661876

IUPAC2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide
SMILESO=C(CBr)Nc1ccc(OP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17BrNO3P/c21-15-20(23)22-16-11-13-17(14-12-16)25-26(24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,22,23)
InChIKeyKXSLQMPEURXAHA-UHFFFAOYSA-N
MW430.24 g/mol
LogP4.33
Rot. Bonds6

About 2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide

2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide (PubChem CID 156661876) has the molecular formula C20H17BrNO3P and a molecular weight of 430.24 g/mol. Its IUPAC name is 2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide
PubChem CID156661876
Molecular FormulaC20H17BrNO3P
Molecular Weight430.24 g/mol
Exact Mass429.01
IUPAC Name2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide
SMILESO=C(CBr)Nc1ccc(OP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17BrNO3P/c21-15-20(23)22-16-11-13-17(14-12-16)25-26(24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,22,23)
InChIKeyKXSLQMPEURXAHA-UHFFFAOYSA-N
XLogP4.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-phenylacetamide;cyclopropane
CID 174384645
[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide
CID 146415877
1-diphenylphosphoryloxy-4-fluorobenzene
CID 23234465
2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
CID 23624716
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
CID 114310874
2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide
CID 23625045
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide?
The IUPAC name of 2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide (CID 156661876) is 2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide is O=C(CBr)Nc1ccc(OP(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide?
The InChIKey is KXSLQMPEURXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrNO3P/c21-15-20(23)22-16-11-13-17(14-12-16)25-26(24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,22,23).
What are the key properties of 2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide?
2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide has a molecular weight of 430.24 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide is sourced from PubChem (CID 156661876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).