2-(5-naphthalen-2-ylpentanoylamino)benzoic acid

C22H21NO3 — CID 11523095

IUPAC2-(5-naphthalen-2-ylpentanoylamino)benzoic acid
SMILESO=C(CCCCc1ccc2ccccc2c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C22H21NO3/c24-21(23-20-11-5-4-10-19(20)22(25)26)12-6-1-7-16-13-14-17-8-2-3-9-18(17)15-16/h2-5,8-11,13-15H,1,6-7,12H2,(H,23,24)(H,25,26)
InChIKeyUWJFPRXHQTYSII-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.89
Rot. Bonds7

About 2-(5-naphthalen-2-ylpentanoylamino)benzoic acid

2-(5-naphthalen-2-ylpentanoylamino)benzoic acid (PubChem CID 11523095) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-(5-naphthalen-2-ylpentanoylamino)benzoic acid.

Molecular Properties

Compound Name2-(5-naphthalen-2-ylpentanoylamino)benzoic acid
PubChem CID11523095
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name2-(5-naphthalen-2-ylpentanoylamino)benzoic acid
SMILESO=C(CCCCc1ccc2ccccc2c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C22H21NO3/c24-21(23-20-11-5-4-10-19(20)22(25)26)12-6-1-7-16-13-14-17-8-2-3-9-18(17)15-16/h2-5,8-11,13-15H,1,6-7,12H2,(H,23,24)(H,25,26)
InChIKeyUWJFPRXHQTYSII-UHFFFAOYSA-N
XLogP4.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Mefenamic Acid
CID 4044
N-Phenylanthranilic Acid
CID 4386
Naptalam
CID 8594
Tamibarotene
CID 108143
N-acetylanthranilic acid
CID 6971
Ftaxilide
CID 71895
Ro 40-6055
CID 2126
2-(Benzoylamino)benzoic acid
CID 68482
Naptalam sodium
CID 23690427
3-Amino-2-naphthoic acid
CID 22244
Bibr 1532
CID 9927531
Anthranilic acid, N-(p-tert-butylphenyl)-
CID 205081

Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-2-ylpentanoylamino)benzoic acid?
The IUPAC name of 2-(5-naphthalen-2-ylpentanoylamino)benzoic acid (CID 11523095) is 2-(5-naphthalen-2-ylpentanoylamino)benzoic acid.
What is the SMILES notation for 2-(5-naphthalen-2-ylpentanoylamino)benzoic acid?
The canonical SMILES for 2-(5-naphthalen-2-ylpentanoylamino)benzoic acid is O=C(CCCCc1ccc2ccccc2c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(5-naphthalen-2-ylpentanoylamino)benzoic acid?
The InChIKey is UWJFPRXHQTYSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c24-21(23-20-11-5-4-10-19(20)22(25)26)12-6-1-7-16-13-14-17-8-2-3-9-18(17)15-16/h2-5,8-11,13-15H,1,6-7,12H2,(H,23,24)(H,25,26).
What are the key properties of 2-(5-naphthalen-2-ylpentanoylamino)benzoic acid?
2-(5-naphthalen-2-ylpentanoylamino)benzoic acid has a molecular weight of 347.41 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-2-ylpentanoylamino)benzoic acid is sourced from PubChem (CID 11523095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).