2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid

C24H17NO4 — CID 10809974

IUPAC2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H17NO4/c26-23(25-22-8-4-3-7-21(22)24(27)28)17-10-12-19(13-11-17)29-20-14-9-16-5-1-2-6-18(16)15-20/h1-15H,(H,25,26)(H,27,28)
InChIKeyJQCWAKMOJSWOJV-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.58
Rot. Bonds5

About 2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid

2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid (PubChem CID 10809974) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid
PubChem CID10809974
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H17NO4/c26-23(25-22-8-4-3-7-21(22)24(27)28)17-10-12-19(13-11-17)29-20-14-9-16-5-1-2-6-18(16)15-20/h1-15H,(H,25,26)(H,27,28)
InChIKeyJQCWAKMOJSWOJV-UHFFFAOYSA-N
XLogP5.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid (CID 10809974) is 2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid?
The InChIKey is JQCWAKMOJSWOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4/c26-23(25-22-8-4-3-7-21(22)24(27)28)17-10-12-19(13-11-17)29-20-14-9-16-5-1-2-6-18(16)15-20/h1-15H,(H,25,26)(H,27,28).
What are the key properties of 2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid?
2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid has a molecular weight of 383.40 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 10809974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).