4-anilinooxycarbonylbenzoic acid

C14H11NO4 — CID 154089254

IUPAC4-anilinooxycarbonylbenzoic acid
SMILESO=C(O)c1ccc(C(=O)ONc2ccccc2)cc1
InChIInChI=1S/C14H11NO4/c16-13(17)10-6-8-11(9-7-10)14(18)19-15-12-4-2-1-3-5-12/h1-9,15H,(H,16,17)
InChIKeyKETCAUHILOLXAD-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.57
Rot. Bonds4

About 4-anilinooxycarbonylbenzoic acid

4-anilinooxycarbonylbenzoic acid (PubChem CID 154089254) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-anilinooxycarbonylbenzoic acid.

Molecular Properties

Compound Name4-anilinooxycarbonylbenzoic acid
PubChem CID154089254
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name4-anilinooxycarbonylbenzoic acid
SMILESO=C(O)c1ccc(C(=O)ONc2ccccc2)cc1
InChIInChI=1S/C14H11NO4/c16-13(17)10-6-8-11(9-7-10)14(18)19-15-12-4-2-1-3-5-12/h1-9,15H,(H,16,17)
InChIKeyKETCAUHILOLXAD-UHFFFAOYSA-N
XLogP2.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-anilino-4-anilinooxycarbonylbenzoic acid
CID 174601802
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxycarbonylbenzoic acid
CID 175602211
4-(methoxyamino)benzoic acid
CID 58668568
Lithium benzoate, 99%
CID 57451198
[[4,6-bis(benzoyloxyamino)-1,3,5-triazin-2-yl]amino] benzoate
CID 90935192
CID 67391169
CID 67391169
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
[4-(benzoyldiazenyl)anilino] 4-methylbenzoate
CID 5120906
4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid
CID 57485280
terephthalic acid
CID 160582437
(2,6-dichloroanilino) benzoate
CID 174870621
[4-chloro-3-(trifluoromethyl)anilino] benzoate
CID 174783175

Frequently Asked Questions

What is the IUPAC name of 4-anilinooxycarbonylbenzoic acid?
The IUPAC name of 4-anilinooxycarbonylbenzoic acid (CID 154089254) is 4-anilinooxycarbonylbenzoic acid.
What is the SMILES notation for 4-anilinooxycarbonylbenzoic acid?
The canonical SMILES for 4-anilinooxycarbonylbenzoic acid is O=C(O)c1ccc(C(=O)ONc2ccccc2)cc1.
What is the InChIKey of 4-anilinooxycarbonylbenzoic acid?
The InChIKey is KETCAUHILOLXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-13(17)10-6-8-11(9-7-10)14(18)19-15-12-4-2-1-3-5-12/h1-9,15H,(H,16,17).
What are the key properties of 4-anilinooxycarbonylbenzoic acid?
4-anilinooxycarbonylbenzoic acid has a molecular weight of 257.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinooxycarbonylbenzoic acid is sourced from PubChem (CID 154089254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).