4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid

C22H15NO8 — CID 18506111

IUPAC4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid
SMILESO=C(O)c1ccc(Oc2ccccc2NC(=O)c2ccccc2C(=O)O)cc1C(=O)O
InChIInChI=1S/C22H15NO8/c24-19(13-5-1-2-6-14(13)20(25)26)23-17-7-3-4-8-18(17)31-12-9-10-15(21(27)28)16(11-12)22(29)30/h1-11H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyNQJSEKCYMNZBNI-UHFFFAOYSA-N
MW421.36 g/mol
LogP3.83
Rot. Bonds7

About 4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid

4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid (PubChem CID 18506111) has the molecular formula C22H15NO8 and a molecular weight of 421.36 g/mol. Its IUPAC name is 4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid.

Molecular Properties

Compound Name4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid
PubChem CID18506111
Molecular FormulaC22H15NO8
Molecular Weight421.36 g/mol
Exact Mass421.08
IUPAC Name4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid
SMILESO=C(O)c1ccc(Oc2ccccc2NC(=O)c2ccccc2C(=O)O)cc1C(=O)O
InChIInChI=1S/C22H15NO8/c24-19(13-5-1-2-6-14(13)20(25)26)23-17-7-3-4-8-18(17)31-12-9-10-15(21(27)28)16(11-12)22(29)30/h1-11H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyNQJSEKCYMNZBNI-UHFFFAOYSA-N
XLogP3.83
TPSA150.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.36
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-bromobenzoyl)amino]phenoxy]phthalic acid
CID 18506122
4-[2-[(4-acetamidobenzoyl)amino]phenoxy]phthalic acid
CID 18506130
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
4-[2-[(4-chloro-3-nitrobenzoyl)amino]phenoxy]phthalic acid
CID 18506214
dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate
CID 10320091
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid
CID 11990538
4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate
CID 7232593
5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 851811
4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid
CID 17296747
4-naphthalen-1-yloxyphthalic acid
CID 174697498
2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
CID 100710300

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid?
The IUPAC name of 4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid (CID 18506111) is 4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid.
What is the SMILES notation for 4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid?
The canonical SMILES for 4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid is O=C(O)c1ccc(Oc2ccccc2NC(=O)c2ccccc2C(=O)O)cc1C(=O)O.
What is the InChIKey of 4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid?
The InChIKey is NQJSEKCYMNZBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO8/c24-19(13-5-1-2-6-14(13)20(25)26)23-17-7-3-4-8-18(17)31-12-9-10-15(21(27)28)16(11-12)22(29)30/h1-11H,(H,23,24)(H,25,26)(H,27,28)(H,29,30).
What are the key properties of 4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid?
4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid has a molecular weight of 421.36 g/mol, XLogP of 3.83, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid is sourced from PubChem (CID 18506111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).