2-chloro-N-(4-nitrophenyl)benzamide

C13H9ClN2O3 — CID 2787761

IUPAC2-chloro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl
InChIInChI=1S/C13H9ClN2O3/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(8-6-9)16(18)19/h1-8H,(H,15,17)
InChIKeyJKUFTSLAJUZNNM-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.50
Rot. Bonds3

About 2-chloro-N-(4-nitrophenyl)benzamide

2-chloro-N-(4-nitrophenyl)benzamide (PubChem CID 2787761) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 2-chloro-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-nitrophenyl)benzamide
PubChem CID2787761
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name2-chloro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl
InChIInChI=1S/C13H9ClN2O3/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(8-6-9)16(18)19/h1-8H,(H,15,17)
InChIKeyJKUFTSLAJUZNNM-UHFFFAOYSA-N
XLogP3.50
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.50
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-N-(4-nitrophenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-nitrophenyl)benzamide (CID 2787761) is 2-chloro-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-nitrophenyl)benzamide?
The InChIKey is JKUFTSLAJUZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(8-6-9)16(18)19/h1-8H,(H,15,17).
What are the key properties of 2-chloro-N-(4-nitrophenyl)benzamide?
2-chloro-N-(4-nitrophenyl)benzamide has a molecular weight of 276.68 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 2787761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).