5-nitro-2-(phenylcarbamoyl)benzoic acid

C14H10N2O5 — CID 787192

IUPAC5-nitro-2-(phenylcarbamoyl)benzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H10N2O5/c17-13(15-9-4-2-1-3-5-9)11-7-6-10(16(20)21)8-12(11)14(18)19/h1-8H,(H,15,17)(H,18,19)
InChIKeyMYERYHCELHRTMI-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.55
Rot. Bonds4

About 5-nitro-2-(phenylcarbamoyl)benzoic acid

5-nitro-2-(phenylcarbamoyl)benzoic acid (PubChem CID 787192) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 5-nitro-2-(phenylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name5-nitro-2-(phenylcarbamoyl)benzoic acid
PubChem CID787192
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name5-nitro-2-(phenylcarbamoyl)benzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H10N2O5/c17-13(15-9-4-2-1-3-5-9)11-7-6-10(16(20)21)8-12(11)14(18)19/h1-8H,(H,15,17)(H,18,19)
InChIKeyMYERYHCELHRTMI-UHFFFAOYSA-N
XLogP2.55
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(phenylcarbamoyl)benzoic acid?
The IUPAC name of 5-nitro-2-(phenylcarbamoyl)benzoic acid (CID 787192) is 5-nitro-2-(phenylcarbamoyl)benzoic acid.
What is the SMILES notation for 5-nitro-2-(phenylcarbamoyl)benzoic acid?
The canonical SMILES for 5-nitro-2-(phenylcarbamoyl)benzoic acid is O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1.
What is the InChIKey of 5-nitro-2-(phenylcarbamoyl)benzoic acid?
The InChIKey is MYERYHCELHRTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-13(15-9-4-2-1-3-5-9)11-7-6-10(16(20)21)8-12(11)14(18)19/h1-8H,(H,15,17)(H,18,19).
What are the key properties of 5-nitro-2-(phenylcarbamoyl)benzoic acid?
5-nitro-2-(phenylcarbamoyl)benzoic acid has a molecular weight of 286.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(phenylcarbamoyl)benzoic acid is sourced from PubChem (CID 787192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).