ethyl 4-benzamidobenzoate

C16H15NO3 — CID 12914

IUPACethyl 4-benzamidobenzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-2-20-16(19)13-8-10-14(11-9-13)17-15(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18)
InChIKeyXFPYCMXNXPPZRV-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.12
Rot. Bonds4

About ethyl 4-benzamidobenzoate

ethyl 4-benzamidobenzoate (PubChem CID 12914) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 4-benzamidobenzoate.

Molecular Properties

Compound Nameethyl 4-benzamidobenzoate
PubChem CID12914
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Nameethyl 4-benzamidobenzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-2-20-16(19)13-8-10-14(11-9-13)17-15(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18)
InChIKeyXFPYCMXNXPPZRV-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzamidobenzoate?
The IUPAC name of ethyl 4-benzamidobenzoate (CID 12914) is ethyl 4-benzamidobenzoate.
What is the SMILES notation for ethyl 4-benzamidobenzoate?
The canonical SMILES for ethyl 4-benzamidobenzoate is CCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-benzamidobenzoate?
The InChIKey is XFPYCMXNXPPZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-20-16(19)13-8-10-14(11-9-13)17-15(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 4-benzamidobenzoate?
ethyl 4-benzamidobenzoate has a molecular weight of 269.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzamidobenzoate is sourced from PubChem (CID 12914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).