carbamoyl(triphenyl)phosphanium

C19H17NOP+ — CID 174403356

IUPACcarbamoyl(triphenyl)phosphanium
SMILESNC(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16NOP/c20-19(21)22(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H-,20,21)/p+1
InChIKeyNOHCGPSWHLVEHC-UHFFFAOYSA-O
MW306.33 g/mol
LogP3.06
Rot. Bonds4

About carbamoyl(triphenyl)phosphanium

carbamoyl(triphenyl)phosphanium (PubChem CID 174403356) has the molecular formula C19H17NOP+ and a molecular weight of 306.33 g/mol. Its IUPAC name is carbamoyl(triphenyl)phosphanium.

Molecular Properties

Compound Namecarbamoyl(triphenyl)phosphanium
PubChem CID174403356
Molecular FormulaC19H17NOP+
Molecular Weight306.33 g/mol
Exact Mass306.10
IUPAC Namecarbamoyl(triphenyl)phosphanium
SMILESNC(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16NOP/c20-19(21)22(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H-,20,21)/p+1
InChIKeyNOHCGPSWHLVEHC-UHFFFAOYSA-O
XLogP3.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(propoxycarbonyl)phosphanium
CID 155678624
2-phenyl-2-sulfanylacetamide
CID 19419425
triphenyl(propoxycarbonyl)phosphanium bromide
CID 159232069
carbamic acid;naphthalene
CID 162082147
2-hydroxy-2-phenylacetamide;hydrochloride
CID 67718904
anthracene-9,10-dione;carbamic acid
CID 70556478
2-methylbutanoyl(triphenyl)phosphanium
CID 175177571
pentoxycarbonyl(triphenyl)phosphanium
CID 172731908
[(Z)-1-amino-3-methoxy-1-methylsulfanyl-3-oxoprop-1-en-2-yl]-triphenylphosphanium iodide
CID 75366404
[(E)-2-amino-1-cyano-2-sulfanylethenyl]-triphenylphosphanium
CID 6083234
2-amino-2-anilinoacetamide
CID 69372465
2-(chloroamino)-2-phenylacetamide
CID 89152727

Frequently Asked Questions

What is the IUPAC name of carbamoyl(triphenyl)phosphanium?
The IUPAC name of carbamoyl(triphenyl)phosphanium (CID 174403356) is carbamoyl(triphenyl)phosphanium.
What is the SMILES notation for carbamoyl(triphenyl)phosphanium?
The canonical SMILES for carbamoyl(triphenyl)phosphanium is NC(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of carbamoyl(triphenyl)phosphanium?
The InChIKey is NOHCGPSWHLVEHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16NOP/c20-19(21)22(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H-,20,21)/p+1.
What are the key properties of carbamoyl(triphenyl)phosphanium?
carbamoyl(triphenyl)phosphanium has a molecular weight of 306.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl(triphenyl)phosphanium is sourced from PubChem (CID 174403356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).