N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide

C15H13F3NO2P — CID 21204835

IUPACN-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCP(=O)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H13F3NO2P/c16-15(17,18)14(20)19-11-22(21,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKeyJZLFHIJQEVWREV-UHFFFAOYSA-N
MW327.24 g/mol
LogP2.64
Rot. Bonds4

About N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide

N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 21204835) has the molecular formula C15H13F3NO2P and a molecular weight of 327.24 g/mol. Its IUPAC name is N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide
PubChem CID21204835
Molecular FormulaC15H13F3NO2P
Molecular Weight327.24 g/mol
Exact Mass327.06
IUPAC NameN-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCP(=O)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H13F3NO2P/c16-15(17,18)14(20)19-11-22(21,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKeyJZLFHIJQEVWREV-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
Triphenyl-((2,2,2-trifluoro-acetylamino)-methyl)-phosphonium, chloride
CID 24213148
N-(diphenylphosphino)-N-methyltrifluoroacet-amide
CID 129766795
N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide
CID 15001731
N-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]-2,2,2-trifluoroacetamide
CID 140527057
N-((Diphenylphosphoryl)methyl)acetamide
CID 13736987
diphenyl-N-methylcarbamoylmethylphosphine
CID 15199033
N-methyl-2-(diphenylphosphoryl)acetamide
CID 85547820
2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
CID 2303502
2,2,2-trifluoro-N-[(1R)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
CID 2303503
Triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium
CID 3507856
N-[1-(diphenylcarbonyl)-2,2,2-trichloroethyl]-2,2,2-trifluoroacetamide
CID 4054307

Frequently Asked Questions

What is the IUPAC name of N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide (CID 21204835) is N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide is O=C(NCP(=O)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is JZLFHIJQEVWREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3NO2P/c16-15(17,18)14(20)19-11-22(21,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20).
What are the key properties of N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide?
N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 327.24 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21204835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).