phenacyl 2-[methyl(phenyl)carbamoyl]benzoate

C23H19NO4 — CID 2706274

IUPACphenacyl 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCN(C(=O)c1ccccc1C(=O)OCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO4/c1-24(18-12-6-3-7-13-18)22(26)19-14-8-9-15-20(19)23(27)28-16-21(25)17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyHLTKVBWOFYOMCH-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.00
Rot. Bonds6

About phenacyl 2-[methyl(phenyl)carbamoyl]benzoate

phenacyl 2-[methyl(phenyl)carbamoyl]benzoate (PubChem CID 2706274) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is phenacyl 2-[methyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namephenacyl 2-[methyl(phenyl)carbamoyl]benzoate
PubChem CID2706274
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Namephenacyl 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCN(C(=O)c1ccccc1C(=O)OCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO4/c1-24(18-12-6-3-7-13-18)22(26)19-14-8-9-15-20(19)23(27)28-16-21(25)17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyHLTKVBWOFYOMCH-UHFFFAOYSA-N
XLogP4.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenacyl 2-[methyl(phenyl)carbamoyl]benzoate?
The IUPAC name of phenacyl 2-[methyl(phenyl)carbamoyl]benzoate (CID 2706274) is phenacyl 2-[methyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for phenacyl 2-[methyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for phenacyl 2-[methyl(phenyl)carbamoyl]benzoate is CN(C(=O)c1ccccc1C(=O)OCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of phenacyl 2-[methyl(phenyl)carbamoyl]benzoate?
The InChIKey is HLTKVBWOFYOMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-24(18-12-6-3-7-13-18)22(26)19-14-8-9-15-20(19)23(27)28-16-21(25)17-10-4-2-5-11-17/h2-15H,16H2,1H3.
What are the key properties of phenacyl 2-[methyl(phenyl)carbamoyl]benzoate?
phenacyl 2-[methyl(phenyl)carbamoyl]benzoate has a molecular weight of 373.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[methyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 2706274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).