2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate

C14H9N2O6- — CID 54714318

IUPAC2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
SMILESO=C(O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1[O-]
InChIInChI=1S/C14H10N2O6/c17-12-6-5-8(7-10(12)14(19)20)15-13(18)9-3-1-2-4-11(9)16(21)22/h1-7,17H,(H,15,18)(H,19,20)/p-1
InChIKeyRLQGEGVLRIQLSR-UHFFFAOYSA-M
MW301.23 g/mol
LogP1.62
Rot. Bonds4

About 2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate

2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate (PubChem CID 54714318) has the molecular formula C14H9N2O6- and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate.

Molecular Properties

Compound Name2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
PubChem CID54714318
Molecular FormulaC14H9N2O6-
Molecular Weight301.23 g/mol
Exact Mass301.05
IUPAC Name2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
SMILESO=C(O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1[O-]
InChIInChI=1S/C14H10N2O6/c17-12-6-5-8(7-10(12)14(19)20)15-13(18)9-3-1-2-4-11(9)16(21)22/h1-7,17H,(H,15,18)(H,19,20)/p-1
InChIKeyRLQGEGVLRIQLSR-UHFFFAOYSA-M
XLogP1.62
TPSA132.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
2-nitro-N-[8-[(2-nitrobenzoyl)amino]-5,5-dioxodibenzothiophen-2-yl]benzamide
CID 2179848
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
4-[(2-carboxy-6-nitrobenzoyl)amino]-2-oxidobenzoate
CID 54707581
benzene;2-nitrobenzoic acid
CID 19891435
N-(4-formylphenyl)-2-nitrobenzamide
CID 25179247
N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 22245107
sodium 2-carboxy-4-[2-(2-nitrophenyl)ethylamino]phenolate
CID 142689334
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 51273364

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate?
The IUPAC name of 2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate (CID 54714318) is 2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate.
What is the SMILES notation for 2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate?
The canonical SMILES for 2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate is O=C(O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1[O-].
What is the InChIKey of 2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate?
The InChIKey is RLQGEGVLRIQLSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10N2O6/c17-12-6-5-8(7-10(12)14(19)20)15-13(18)9-3-1-2-4-11(9)16(21)22/h1-7,17H,(H,15,18)(H,19,20)/p-1.
What are the key properties of 2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate?
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate has a molecular weight of 301.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate is sourced from PubChem (CID 54714318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).