4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid

C14H9ClN2O5 — CID 45436116

IUPAC4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClN2O5/c15-8-5-6-9(14(19)20)11(7-8)16-13(18)10-3-1-2-4-12(10)17(21)22/h1-7H,(H,16,18)(H,19,20)
InChIKeyBNXOFDMLVXWENC-UHFFFAOYSA-N
MW320.69 g/mol
LogP3.20
Rot. Bonds4

About 4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid

4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid (PubChem CID 45436116) has the molecular formula C14H9ClN2O5 and a molecular weight of 320.69 g/mol. Its IUPAC name is 4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
PubChem CID45436116
Molecular FormulaC14H9ClN2O5
Molecular Weight320.69 g/mol
Exact Mass320.02
IUPAC Name4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClN2O5/c15-8-5-6-9(14(19)20)11(7-8)16-13(18)10-3-1-2-4-12(10)17(21)22/h1-7H,(H,16,18)(H,19,20)
InChIKeyBNXOFDMLVXWENC-UHFFFAOYSA-N
XLogP3.20
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid (CID 45436116) is 4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid is O=C(O)c1ccc(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid?
The InChIKey is BNXOFDMLVXWENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O5/c15-8-5-6-9(14(19)20)11(7-8)16-13(18)10-3-1-2-4-12(10)17(21)22/h1-7H,(H,16,18)(H,19,20).
What are the key properties of 4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid?
4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid has a molecular weight of 320.69 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid is sourced from PubChem (CID 45436116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).