methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate

C18H19FNO6P — CID 5153617

IUPACmethyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(NC(=O)c1ccccc1)(c1ccc(F)cc1)P(=O)(OC)OC
InChIInChI=1S/C18H19FNO6P/c1-24-17(22)18(27(23,25-2)26-3,14-9-11-15(19)12-10-14)20-16(21)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,21)
InChIKeyIFQABIHNNJBEBC-UHFFFAOYSA-N
MW395.32 g/mol
LogP3.07
Rot. Bonds7

About methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate

methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate (PubChem CID 5153617) has the molecular formula C18H19FNO6P and a molecular weight of 395.32 g/mol. Its IUPAC name is methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate
PubChem CID5153617
Molecular FormulaC18H19FNO6P
Molecular Weight395.32 g/mol
Exact Mass395.09
IUPAC Namemethyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(NC(=O)c1ccccc1)(c1ccc(F)cc1)P(=O)(OC)OC
InChIInChI=1S/C18H19FNO6P/c1-24-17(22)18(27(23,25-2)26-3,14-9-11-15(19)12-10-14)20-16(21)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,21)
InChIKeyIFQABIHNNJBEBC-UHFFFAOYSA-N
XLogP3.07
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-benzamido-2-bromo-3,3,3-trifluoropropanoate
CID 101241069
methyl 2-benzoyl-2-dimethoxyphosphoryl-3-oxo-3-phenylpropanoate
CID 12938764
methyl (2R)-2-benzamido-2-bromo-3,3-dimethylbutanoate
CID 101241068
methyl 2-benzamido-2-sulfanylpropanoate
CID 53440930
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide
CID 171061420
methyl 2-anilino-2-(4-fluorophenyl)butanoate
CID 60992178
methyl 2-benzamido-3,3-dichloro-2-methoxypropanoate
CID 15562203
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
1-chloro-2-[dimethoxyphosphoryl-bis(4-fluorophenyl)methyl]benzene
CID 24887731
methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate
CID 101027737

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate (CID 5153617) is methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate is COC(=O)C(NC(=O)c1ccccc1)(c1ccc(F)cc1)P(=O)(OC)OC.
What is the InChIKey of methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate?
The InChIKey is IFQABIHNNJBEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FNO6P/c1-24-17(22)18(27(23,25-2)26-3,14-9-11-15(19)12-10-14)20-16(21)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,21).
What are the key properties of methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate?
methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate has a molecular weight of 395.32 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-2-dimethoxyphosphoryl-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 5153617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).