N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C18H19F3NO4P — CID 100927098

IUPACN-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOP(=O)(OC)C(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19F3NO4P/c1-25-27(24,26-2)16(22-17(23)14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)18(19,20)21/h3-11,16H,12H2,1-2H3,(H,22,23)
InChIKeyOXUFUNZXFLVHFC-UHFFFAOYSA-N
MW401.32 g/mol
LogP4.49
Rot. Bonds7

About N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 100927098) has the molecular formula C18H19F3NO4P and a molecular weight of 401.32 g/mol. Its IUPAC name is N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID100927098
Molecular FormulaC18H19F3NO4P
Molecular Weight401.32 g/mol
Exact Mass401.10
IUPAC NameN-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOP(=O)(OC)C(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19F3NO4P/c1-25-27(24,26-2)16(22-17(23)14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)18(19,20)21/h3-11,16H,12H2,1-2H3,(H,22,23)
InChIKeyOXUFUNZXFLVHFC-UHFFFAOYSA-N
XLogP4.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide
CID 100927094
N-[1-dimethoxyphosphoryl-2-(4-nitrophenyl)ethyl]benzamide
CID 85367009
N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 10915868
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
methyl 3-benzamido-3-[4-(trifluoromethyl)phenyl]propanoate
CID 18797714
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 11784176
(2S)-3-[4-(4-phenoxyphenyl)phenyl]-2-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 58718059
[1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105195282
lithium;hydride;[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino] benzoate
CID 174428956
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169
N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 135065542

Frequently Asked Questions

What is the IUPAC name of N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 100927098) is N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is COP(=O)(OC)C(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is OXUFUNZXFLVHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3NO4P/c1-25-27(24,26-2)16(22-17(23)14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)18(19,20)21/h3-11,16H,12H2,1-2H3,(H,22,23).
What are the key properties of N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 401.32 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 100927098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).