4-nitrobenzamide

C7H6N2O3 — CID 12091

IUPAC4-nitrobenzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)
InChIKeyZESWUEBPRPGMTP-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.69
Rot. Bonds2

About 4-nitrobenzamide

4-nitrobenzamide (PubChem CID 12091) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 4-nitrobenzamide.

Molecular Properties

Compound Name4-nitrobenzamide
PubChem CID12091
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name4-nitrobenzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)
InChIKeyZESWUEBPRPGMTP-UHFFFAOYSA-N
XLogP0.69
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-Nitrobenzaldehyde
CID 7449
4-Nitrochalcone
CID 5377323
4-Nitrobenzaldehyde
CID 541
3,5-Dinitrobenzamide
CID 4511
Iniparib
CID 9796068
4-Aminobenzamide
CID 76079
4-Nitrobenzoyl chloride
CID 8502
3-Nitrobenzamide
CID 12576
p-Nitroacetophenone
CID 7487
2-Nitrobenzamide
CID 11876
o-Nitrobenzohydrazide
CID 3781218
Benzoic acid, 4-nitro-, hydrazide
CID 3693744

Frequently Asked Questions

What is the IUPAC name of 4-nitrobenzamide?
The IUPAC name of 4-nitrobenzamide (CID 12091) is 4-nitrobenzamide.
What is the SMILES notation for 4-nitrobenzamide?
The canonical SMILES for 4-nitrobenzamide is NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitrobenzamide?
The InChIKey is ZESWUEBPRPGMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10).
What are the key properties of 4-nitrobenzamide?
4-nitrobenzamide has a molecular weight of 166.14 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrobenzamide is sourced from PubChem (CID 12091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).