2-diphenylphosphorylpyrrolidine-1-carboxamide

C17H19N2O2P — CID 139600015

IUPAC2-diphenylphosphorylpyrrolidine-1-carboxamide
SMILESNC(=O)N1CCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N2O2P/c18-17(20)19-13-7-12-16(19)22(21,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H2,18,20)
InChIKeyMENKULTZKWAAPW-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.50
Rot. Bonds3

About 2-diphenylphosphorylpyrrolidine-1-carboxamide

2-diphenylphosphorylpyrrolidine-1-carboxamide (PubChem CID 139600015) has the molecular formula C17H19N2O2P and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-diphenylphosphorylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-diphenylphosphorylpyrrolidine-1-carboxamide
PubChem CID139600015
Molecular FormulaC17H19N2O2P
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name2-diphenylphosphorylpyrrolidine-1-carboxamide
SMILESNC(=O)N1CCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N2O2P/c18-17(20)19-13-7-12-16(19)22(21,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H2,18,20)
InChIKeyMENKULTZKWAAPW-UHFFFAOYSA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
diphenyl-N,N-dibutyl-carbamoylphosphineoxide
CID 15461320
(2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 11121360
N-{[3-(Diethylamino)propyl]carbamoyl}-P,P-diphenylphosphinic amide
CID 71446298
N-(n-Butyl)-N'-(diphenylphosphinyl)harnstoff
CID 129647173
2-(diphenylphosphoryl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 129770693
2-(diphenylphosphoryl)-N,N-dimethylpyrrolidine1-carboxamide
CID 139600058
[2-(Diphenylphosphoryl)pyrrolidin-1-yl](morpholino)methanone
CID 139600105
N-(diphenylphosphoryl)-N'-n-propylurea
CID 155919950
N-diphenylphosphoryl-N'-[3-(2-oxopyrrolidino)propyl]urea
CID 155920022
2-Pyrrolidinone, 1-[(diphenylphosphinyl)methyl]-
CID 10086097
(1-Carbamoyl-2-oxopyrrolidin-3-yl)triphenylphosphonium bromide
CID 19022136

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphorylpyrrolidine-1-carboxamide?
The IUPAC name of 2-diphenylphosphorylpyrrolidine-1-carboxamide (CID 139600015) is 2-diphenylphosphorylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-diphenylphosphorylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-diphenylphosphorylpyrrolidine-1-carboxamide is NC(=O)N1CCCC1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphorylpyrrolidine-1-carboxamide?
The InChIKey is MENKULTZKWAAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2O2P/c18-17(20)19-13-7-12-16(19)22(21,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H2,18,20).
What are the key properties of 2-diphenylphosphorylpyrrolidine-1-carboxamide?
2-diphenylphosphorylpyrrolidine-1-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylpyrrolidine-1-carboxamide is sourced from PubChem (CID 139600015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).