5-acetyl-2-(3-acetylanilino)benzoic acid

C17H15NO4 — CID 70692398

IUPAC5-acetyl-2-(3-acetylanilino)benzoic acid
SMILESCC(=O)c1cccc(Nc2ccc(C(C)=O)cc2C(=O)O)c1
InChIInChI=1S/C17H15NO4/c1-10(19)12-4-3-5-14(8-12)18-16-7-6-13(11(2)20)9-15(16)17(21)22/h3-9,18H,1-2H3,(H,21,22)
InChIKeyXLDOWLBJUYHPKG-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.53
Rot. Bonds5

About 5-acetyl-2-(3-acetylanilino)benzoic acid

5-acetyl-2-(3-acetylanilino)benzoic acid (PubChem CID 70692398) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-acetyl-2-(3-acetylanilino)benzoic acid.

Molecular Properties

Compound Name5-acetyl-2-(3-acetylanilino)benzoic acid
PubChem CID70692398
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name5-acetyl-2-(3-acetylanilino)benzoic acid
SMILESCC(=O)c1cccc(Nc2ccc(C(C)=O)cc2C(=O)O)c1
InChIInChI=1S/C17H15NO4/c1-10(19)12-4-3-5-14(8-12)18-16-7-6-13(11(2)20)9-15(16)17(21)22/h3-9,18H,1-2H3,(H,21,22)
InChIKeyXLDOWLBJUYHPKG-UHFFFAOYSA-N
XLogP3.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(3-acetylanilino)benzoic acid?
The IUPAC name of 5-acetyl-2-(3-acetylanilino)benzoic acid (CID 70692398) is 5-acetyl-2-(3-acetylanilino)benzoic acid.
What is the SMILES notation for 5-acetyl-2-(3-acetylanilino)benzoic acid?
The canonical SMILES for 5-acetyl-2-(3-acetylanilino)benzoic acid is CC(=O)c1cccc(Nc2ccc(C(C)=O)cc2C(=O)O)c1.
What is the InChIKey of 5-acetyl-2-(3-acetylanilino)benzoic acid?
The InChIKey is XLDOWLBJUYHPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-10(19)12-4-3-5-14(8-12)18-16-7-6-13(11(2)20)9-15(16)17(21)22/h3-9,18H,1-2H3,(H,21,22).
What are the key properties of 5-acetyl-2-(3-acetylanilino)benzoic acid?
5-acetyl-2-(3-acetylanilino)benzoic acid has a molecular weight of 297.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(3-acetylanilino)benzoic acid is sourced from PubChem (CID 70692398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).