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

C12H17BrNO4P — CID 21065097

IUPACN-(4-bromo-2-diethoxyphosphorylphenyl)acetamide
SMILESCCOP(=O)(OCC)c1cc(Br)ccc1NC(C)=O
InChIInChI=1S/C12H17BrNO4P/c1-4-17-19(16,18-5-2)12-8-10(13)6-7-11(12)14-9(3)15/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyRCBCOYIVLXECTI-UHFFFAOYSA-N
MW350.15 g/mol
LogP3.30
Rot. Bonds6

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

N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide (PubChem CID 21065097) has the molecular formula C12H17BrNO4P and a molecular weight of 350.15 g/mol. Its IUPAC name is N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-diethoxyphosphorylphenyl)acetamide
PubChem CID21065097
Molecular FormulaC12H17BrNO4P
Molecular Weight350.15 g/mol
Exact Mass349.01
IUPAC NameN-(4-bromo-2-diethoxyphosphorylphenyl)acetamide
SMILESCCOP(=O)(OCC)c1cc(Br)ccc1NC(C)=O
InChIInChI=1S/C12H17BrNO4P/c1-4-17-19(16,18-5-2)12-8-10(13)6-7-11(12)14-9(3)15/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyRCBCOYIVLXECTI-UHFFFAOYSA-N
XLogP3.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide?
The IUPAC name of N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide (CID 21065097) is N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide is CCOP(=O)(OCC)c1cc(Br)ccc1NC(C)=O.
What is the InChIKey of N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide?
The InChIKey is RCBCOYIVLXECTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrNO4P/c1-4-17-19(16,18-5-2)12-8-10(13)6-7-11(12)14-9(3)15/h6-8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide?
N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide has a molecular weight of 350.15 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide is sourced from PubChem (CID 21065097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).