2-(phenacylamino)benzoic acid

C15H13NO3 — CID 583493

IUPAC2-(phenacylamino)benzoic acid
SMILESO=C(CNc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H13NO3/c17-14(11-6-2-1-3-7-11)10-16-13-9-5-4-8-12(13)15(18)19/h1-9,16H,10H2,(H,18,19)
InChIKeyYGBFEWLCGGNVON-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.68
Rot. Bonds5

About 2-(phenacylamino)benzoic acid

2-(phenacylamino)benzoic acid (PubChem CID 583493) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(phenacylamino)benzoic acid.

Molecular Properties

Compound Name2-(phenacylamino)benzoic acid
PubChem CID583493
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-(phenacylamino)benzoic acid
SMILESO=C(CNc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H13NO3/c17-14(11-6-2-1-3-7-11)10-16-13-9-5-4-8-12(13)15(18)19/h1-9,16H,10H2,(H,18,19)
InChIKeyYGBFEWLCGGNVON-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(phenacylamino)benzoic acid?
The IUPAC name of 2-(phenacylamino)benzoic acid (CID 583493) is 2-(phenacylamino)benzoic acid.
What is the SMILES notation for 2-(phenacylamino)benzoic acid?
The canonical SMILES for 2-(phenacylamino)benzoic acid is O=C(CNc1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-(phenacylamino)benzoic acid?
The InChIKey is YGBFEWLCGGNVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14(11-6-2-1-3-7-11)10-16-13-9-5-4-8-12(13)15(18)19/h1-9,16H,10H2,(H,18,19).
What are the key properties of 2-(phenacylamino)benzoic acid?
2-(phenacylamino)benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenacylamino)benzoic acid is sourced from PubChem (CID 583493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).