methyl 2-(N-benzoylanilino)benzoate

C21H17NO3 — CID 44721234

IUPACmethyl 2-(N-benzoylanilino)benzoate
SMILESCOC(=O)c1ccccc1N(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO3/c1-25-21(24)18-14-8-9-15-19(18)22(17-12-6-3-7-13-17)20(23)16-10-4-2-5-11-16/h2-15H,1H3
InChIKeyZJEKNGFJMUSUIM-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.45
Rot. Bonds4

About methyl 2-(N-benzoylanilino)benzoate

methyl 2-(N-benzoylanilino)benzoate (PubChem CID 44721234) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 2-(N-benzoylanilino)benzoate.

Molecular Properties

Compound Namemethyl 2-(N-benzoylanilino)benzoate
PubChem CID44721234
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Namemethyl 2-(N-benzoylanilino)benzoate
SMILESCOC(=O)c1ccccc1N(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO3/c1-25-21(24)18-14-8-9-15-19(18)22(17-12-6-3-7-13-17)20(23)16-10-4-2-5-11-16/h2-15H,1H3
InChIKeyZJEKNGFJMUSUIM-UHFFFAOYSA-N
XLogP4.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-benzoylanilino)benzoate?
The IUPAC name of methyl 2-(N-benzoylanilino)benzoate (CID 44721234) is methyl 2-(N-benzoylanilino)benzoate.
What is the SMILES notation for methyl 2-(N-benzoylanilino)benzoate?
The canonical SMILES for methyl 2-(N-benzoylanilino)benzoate is COC(=O)c1ccccc1N(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(N-benzoylanilino)benzoate?
The InChIKey is ZJEKNGFJMUSUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-25-21(24)18-14-8-9-15-19(18)22(17-12-6-3-7-13-17)20(23)16-10-4-2-5-11-16/h2-15H,1H3.
What are the key properties of methyl 2-(N-benzoylanilino)benzoate?
methyl 2-(N-benzoylanilino)benzoate has a molecular weight of 331.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-benzoylanilino)benzoate is sourced from PubChem (CID 44721234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).