benzyl 3-acetamidobenzoate

C16H15NO3 — CID 2953717

IUPACbenzyl 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-12(18)17-15-9-5-8-14(10-15)16(19)20-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,17,18)
InChIKeyZTYNZFSCUSFIHC-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.00
Rot. Bonds4

About benzyl 3-acetamidobenzoate

benzyl 3-acetamidobenzoate (PubChem CID 2953717) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is benzyl 3-acetamidobenzoate.

Molecular Properties

Compound Namebenzyl 3-acetamidobenzoate
PubChem CID2953717
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namebenzyl 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-12(18)17-15-9-5-8-14(10-15)16(19)20-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,17,18)
InChIKeyZTYNZFSCUSFIHC-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-acetamidobenzoate?
The IUPAC name of benzyl 3-acetamidobenzoate (CID 2953717) is benzyl 3-acetamidobenzoate.
What is the SMILES notation for benzyl 3-acetamidobenzoate?
The canonical SMILES for benzyl 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 3-acetamidobenzoate?
The InChIKey is ZTYNZFSCUSFIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12(18)17-15-9-5-8-14(10-15)16(19)20-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of benzyl 3-acetamidobenzoate?
benzyl 3-acetamidobenzoate has a molecular weight of 269.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-acetamidobenzoate is sourced from PubChem (CID 2953717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).