(4-benzoylphenyl)methyl 2-acetamidobenzoate

C23H19NO4 — CID 1262376

IUPAC(4-benzoylphenyl)methyl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO4/c1-16(25)24-21-10-6-5-9-20(21)23(27)28-15-17-11-13-19(14-12-17)22(26)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,24,25)
InChIKeyZKKXBFOESAOZGS-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.23
Rot. Bonds6

About (4-benzoylphenyl)methyl 2-acetamidobenzoate

(4-benzoylphenyl)methyl 2-acetamidobenzoate (PubChem CID 1262376) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is (4-benzoylphenyl)methyl 2-acetamidobenzoate.

Molecular Properties

Compound Name(4-benzoylphenyl)methyl 2-acetamidobenzoate
PubChem CID1262376
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name(4-benzoylphenyl)methyl 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO4/c1-16(25)24-21-10-6-5-9-20(21)23(27)28-15-17-11-13-19(14-12-17)22(26)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,24,25)
InChIKeyZKKXBFOESAOZGS-UHFFFAOYSA-N
XLogP4.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl)methyl 2-acetamidobenzoate?
The IUPAC name of (4-benzoylphenyl)methyl 2-acetamidobenzoate (CID 1262376) is (4-benzoylphenyl)methyl 2-acetamidobenzoate.
What is the SMILES notation for (4-benzoylphenyl)methyl 2-acetamidobenzoate?
The canonical SMILES for (4-benzoylphenyl)methyl 2-acetamidobenzoate is CC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl)methyl 2-acetamidobenzoate?
The InChIKey is ZKKXBFOESAOZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-16(25)24-21-10-6-5-9-20(21)23(27)28-15-17-11-13-19(14-12-17)22(26)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,24,25).
What are the key properties of (4-benzoylphenyl)methyl 2-acetamidobenzoate?
(4-benzoylphenyl)methyl 2-acetamidobenzoate has a molecular weight of 373.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl)methyl 2-acetamidobenzoate is sourced from PubChem (CID 1262376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).