2-phosphanylbenzene-1,4-dicarboxamide

C8H9N2O2P — CID 174651487

IUPAC2-phosphanylbenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(P)c1
InChIInChI=1S/C8H9N2O2P/c9-7(11)4-1-2-5(8(10)12)6(13)3-4/h1-3H,13H2,(H2,9,11)(H2,10,12)
InChIKeyLASUMISYOLSZAW-UHFFFAOYSA-N
MW196.15 g/mol
LogP-0.62
Rot. Bonds2

About 2-phosphanylbenzene-1,4-dicarboxamide

2-phosphanylbenzene-1,4-dicarboxamide (PubChem CID 174651487) has the molecular formula C8H9N2O2P and a molecular weight of 196.15 g/mol. Its IUPAC name is 2-phosphanylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-phosphanylbenzene-1,4-dicarboxamide
PubChem CID174651487
Molecular FormulaC8H9N2O2P
Molecular Weight196.15 g/mol
Exact Mass196.04
IUPAC Name2-phosphanylbenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(P)c1
InChIInChI=1S/C8H9N2O2P/c9-7(11)4-1-2-5(8(10)12)6(13)3-4/h1-3H,13H2,(H2,9,11)(H2,10,12)
InChIKeyLASUMISYOLSZAW-UHFFFAOYSA-N
XLogP-0.62
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-phosphanylbenzamide
CID 142140528
3,4-diacetylbenzamide
CID 70447380
4-acetyl-3-aminobenzamide
CID 171538072
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide
CID 70906211
2-(4-amino-2-methylphenyl)benzene-1,4-dicarboxamide
CID 174919262
2-decylbenzene-1,4-dicarboxamide
CID 141297186
2-(4-methoxybutoxy)benzene-1,4-dicarboxamide
CID 140972457
2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
benzene-1,2,3,4-tetracarboxamide
CID 54274025
2-(2,2,3,3,4,4,4-heptafluorobutylamino)benzene-1,4-dicarboxamide
CID 140538447
CID 153486649
CID 153486649

Frequently Asked Questions

What is the IUPAC name of 2-phosphanylbenzene-1,4-dicarboxamide?
The IUPAC name of 2-phosphanylbenzene-1,4-dicarboxamide (CID 174651487) is 2-phosphanylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 2-phosphanylbenzene-1,4-dicarboxamide?
The canonical SMILES for 2-phosphanylbenzene-1,4-dicarboxamide is NC(=O)c1ccc(C(N)=O)c(P)c1.
What is the InChIKey of 2-phosphanylbenzene-1,4-dicarboxamide?
The InChIKey is LASUMISYOLSZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2O2P/c9-7(11)4-1-2-5(8(10)12)6(13)3-4/h1-3H,13H2,(H2,9,11)(H2,10,12).
What are the key properties of 2-phosphanylbenzene-1,4-dicarboxamide?
2-phosphanylbenzene-1,4-dicarboxamide has a molecular weight of 196.15 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 174651487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).