2-(3-naphthalen-2-ylpropanoylamino)benzoic acid

C20H17NO3 — CID 11594881

IUPAC2-(3-naphthalen-2-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccc2ccccc2c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C20H17NO3/c22-19(21-18-8-4-3-7-17(18)20(23)24)12-10-14-9-11-15-5-1-2-6-16(15)13-14/h1-9,11,13H,10,12H2,(H,21,22)(H,23,24)
InChIKeyTUCHRHOVXUFQLY-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.11
Rot. Bonds5

About 2-(3-naphthalen-2-ylpropanoylamino)benzoic acid

2-(3-naphthalen-2-ylpropanoylamino)benzoic acid (PubChem CID 11594881) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylpropanoylamino)benzoic acid
PubChem CID11594881
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-(3-naphthalen-2-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccc2ccccc2c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C20H17NO3/c22-19(21-18-8-4-3-7-17(18)20(23)24)12-10-14-9-11-15-5-1-2-6-16(15)13-14/h1-9,11,13H,10,12H2,(H,21,22)(H,23,24)
InChIKeyTUCHRHOVXUFQLY-UHFFFAOYSA-N
XLogP4.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylpropanoylamino)benzoic acid?
The IUPAC name of 2-(3-naphthalen-2-ylpropanoylamino)benzoic acid (CID 11594881) is 2-(3-naphthalen-2-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 2-(3-naphthalen-2-ylpropanoylamino)benzoic acid?
The canonical SMILES for 2-(3-naphthalen-2-ylpropanoylamino)benzoic acid is O=C(CCc1ccc2ccccc2c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(3-naphthalen-2-ylpropanoylamino)benzoic acid?
The InChIKey is TUCHRHOVXUFQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-19(21-18-8-4-3-7-17(18)20(23)24)12-10-14-9-11-15-5-1-2-6-16(15)13-14/h1-9,11,13H,10,12H2,(H,21,22)(H,23,24).
What are the key properties of 2-(3-naphthalen-2-ylpropanoylamino)benzoic acid?
2-(3-naphthalen-2-ylpropanoylamino)benzoic acid has a molecular weight of 319.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 11594881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).