bis(4-carbamoylphenoxy)-oxophosphanium

C14H12N2O5P+ — CID 175103323

IUPACbis(4-carbamoylphenoxy)-oxophosphanium
SMILESNC(=O)c1ccc(O[P+](=O)Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C14H11N2O5P/c15-13(17)9-1-5-11(6-2-9)20-22(19)21-12-7-3-10(4-8-12)14(16)18/h1-8H,(H3-,15,16,17,18)/p+1
InChIKeySDHUYQJUBOIGQD-UHFFFAOYSA-O
MW319.23 g/mol
LogP2.00
Rot. Bonds6

About bis(4-carbamoylphenoxy)-oxophosphanium

bis(4-carbamoylphenoxy)-oxophosphanium (PubChem CID 175103323) has the molecular formula C14H12N2O5P+ and a molecular weight of 319.23 g/mol. Its IUPAC name is bis(4-carbamoylphenoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(4-carbamoylphenoxy)-oxophosphanium
PubChem CID175103323
Molecular FormulaC14H12N2O5P+
Molecular Weight319.23 g/mol
Exact Mass319.05
IUPAC Namebis(4-carbamoylphenoxy)-oxophosphanium
SMILESNC(=O)c1ccc(O[P+](=O)Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C14H11N2O5P/c15-13(17)9-1-5-11(6-2-9)20-22(19)21-12-7-3-10(4-8-12)14(16)18/h1-8H,(H3-,15,16,17,18)/p+1
InChIKeySDHUYQJUBOIGQD-UHFFFAOYSA-O
XLogP2.00
TPSA121.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-carbamoylphenoxy)benzamide
CID 156597124
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
(4-carbamoylphenyl) carbonochloridate
CID 119084646
4-(4-hydroxyphenoxy)benzamide
CID 60869896
4-(2-oxoethoxy)benzamide
CID 54336602
4-ethenoxybenzamide
CID 66368618
4-(4-fluorophenoxy)benzamide
CID 22142233
4-(4-aminobut-2-enoxy)benzamide
CID 77110813
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
4-(4-ethoxyphenyl)benzamide
CID 163572533
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
(4-carbamoylphenyl) 2-methylprop-2-enoate
CID 53440858

Frequently Asked Questions

What is the IUPAC name of bis(4-carbamoylphenoxy)-oxophosphanium?
The IUPAC name of bis(4-carbamoylphenoxy)-oxophosphanium (CID 175103323) is bis(4-carbamoylphenoxy)-oxophosphanium.
What is the SMILES notation for bis(4-carbamoylphenoxy)-oxophosphanium?
The canonical SMILES for bis(4-carbamoylphenoxy)-oxophosphanium is NC(=O)c1ccc(O[P+](=O)Oc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of bis(4-carbamoylphenoxy)-oxophosphanium?
The InChIKey is SDHUYQJUBOIGQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H11N2O5P/c15-13(17)9-1-5-11(6-2-9)20-22(19)21-12-7-3-10(4-8-12)14(16)18/h1-8H,(H3-,15,16,17,18)/p+1.
What are the key properties of bis(4-carbamoylphenoxy)-oxophosphanium?
bis(4-carbamoylphenoxy)-oxophosphanium has a molecular weight of 319.23 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-carbamoylphenoxy)-oxophosphanium is sourced from PubChem (CID 175103323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).