2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid

C20H14FNO4 — CID 11484922

IUPAC2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H14FNO4/c21-14-8-10-15(11-9-14)26-16-5-3-4-13(12-16)19(23)22-18-7-2-1-6-17(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyHPTXSHNYGZHJLA-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.57
Rot. Bonds5

About 2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid

2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid (PubChem CID 11484922) has the molecular formula C20H14FNO4 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid
PubChem CID11484922
Molecular FormulaC20H14FNO4
Molecular Weight351.33 g/mol
Exact Mass351.09
IUPAC Name2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H14FNO4/c21-14-8-10-15(11-9-14)26-16-5-3-4-13(12-16)19(23)22-18-7-2-1-6-17(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyHPTXSHNYGZHJLA-UHFFFAOYSA-N
XLogP4.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tranilast
CID 5282230
2-[(4-Methoxyphenyl)amino]benzoic acid
CID 202918
N-(3',4'-dimethoxycinnamoyl)anthranilic acid
CID 5527
Avenanthramide A
CID 5281157
Avenanthramide B
CID 10087955
2-((4-Phenoxyanilino)carbonyl)benzoic acid
CID 736198
5-Hydroxy-2-(((2E,4E)-5-(4-hydroxyphenyl)-1-oxo-2,4-pentadien-1-yl)amino)benzoic acid
CID 101688490
Asengeprast
CID 23648966
2-(4-Methoxybenzamido)benzoic acid
CID 721421
Avenanthramide E
CID 10245047
2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic Acid
CID 2193203
2-[(3-Phenoxy-4-phenylbenzene)amido]benzoic acid
CID 11177309

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid (CID 11484922) is 2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid?
The InChIKey is HPTXSHNYGZHJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO4/c21-14-8-10-15(11-9-14)26-16-5-3-4-13(12-16)19(23)22-18-7-2-1-6-17(18)20(24)25/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid?
2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid has a molecular weight of 351.33 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenoxy)benzoyl]amino]benzoic acid is sourced from PubChem (CID 11484922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).