2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate

C20H14N2O6-2 — CID 155748475

IUPAC2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate
SMILESO=C(Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)c1cccc(O)c1[O-]
InChIInChI=1S/C20H16N2O6/c23-15-5-1-3-13(17(15)25)19(27)21-11-7-9-12(10-8-11)22-20(28)14-4-2-6-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)/p-2
InChIKeySTOKWFCJMQAUHV-UHFFFAOYSA-L
MW378.34 g/mol
LogP1.75
Rot. Bonds4

About 2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate

2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate (PubChem CID 155748475) has the molecular formula C20H14N2O6-2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate.

Molecular Properties

Compound Name2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate
PubChem CID155748475
Molecular FormulaC20H14N2O6-2
Molecular Weight378.34 g/mol
Exact Mass378.09
IUPAC Name2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate
SMILESO=C(Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)c1cccc(O)c1[O-]
InChIInChI=1S/C20H16N2O6/c23-15-5-1-3-13(17(15)25)19(27)21-11-7-9-12(10-8-11)22-20(28)14-4-2-6-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)/p-2
InChIKeySTOKWFCJMQAUHV-UHFFFAOYSA-L
XLogP1.75
TPSA144.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-phenylbenzamide
CID 157209959
N-(4-acetamidophenyl)-3-hydroxy-2-methylbenzamide
CID 82781425
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
CID 114343071
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide
CID 101414769
N-[4-(2-bromoethyl)phenyl]-2,3-dihydroxybenzamide
CID 114345303
2-hydrazinyl-N-(4-sulfamoylphenyl)benzamide
CID 62234840
N-(4-ethenoxyphenyl)-2-hydroxybenzamide
CID 3356278
2-ethyl-3-hydroxy-N-(4-methylphenyl)benzamide
CID 144929649
3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82787554
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate?
The IUPAC name of 2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate (CID 155748475) is 2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate.
What is the SMILES notation for 2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate?
The canonical SMILES for 2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate is O=C(Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)c1cccc(O)c1[O-].
What is the InChIKey of 2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate?
The InChIKey is STOKWFCJMQAUHV-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H16N2O6/c23-15-5-1-3-13(17(15)25)19(27)21-11-7-9-12(10-8-11)22-20(28)14-4-2-6-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)/p-2.
What are the key properties of 2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate?
2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate has a molecular weight of 378.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate is sourced from PubChem (CID 155748475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).