2-chloro-4-nitrobenzamide

C7H5ClN2O3 — CID 2075

IUPAC2-chloro-4-nitrobenzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11)
InChIKeyGFGSZUNNBQXGMK-UHFFFAOYSA-N
MW200.58 g/mol
LogP1.35
Rot. Bonds2

About 2-chloro-4-nitrobenzamide

2-chloro-4-nitrobenzamide (PubChem CID 2075) has the molecular formula C7H5ClN2O3 and a molecular weight of 200.58 g/mol. Its IUPAC name is 2-chloro-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-4-nitrobenzamide
PubChem CID2075
Molecular FormulaC7H5ClN2O3
Molecular Weight200.58 g/mol
Exact Mass200.00
IUPAC Name2-chloro-4-nitrobenzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11)
InChIKeyGFGSZUNNBQXGMK-UHFFFAOYSA-N
XLogP1.35
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitrobenzamide?
The IUPAC name of 2-chloro-4-nitrobenzamide (CID 2075) is 2-chloro-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-4-nitrobenzamide?
The canonical SMILES for 2-chloro-4-nitrobenzamide is NC(=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitrobenzamide?
The InChIKey is GFGSZUNNBQXGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11).
What are the key properties of 2-chloro-4-nitrobenzamide?
2-chloro-4-nitrobenzamide has a molecular weight of 200.58 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitrobenzamide is sourced from PubChem (CID 2075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).