N-(2-aminophenyl)-2-chloro-5-nitrobenzamide

C13H10ClN3O3 — CID 43600048

IUPACN-(2-aminophenyl)-2-chloro-5-nitrobenzamide
SMILESNc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H10ClN3O3/c14-10-6-5-8(17(19)20)7-9(10)13(18)16-12-4-2-1-3-11(12)15/h1-7H,15H2,(H,16,18)
InChIKeyBQOALVUSTUPCPO-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.08
Rot. Bonds3

About N-(2-aminophenyl)-2-chloro-5-nitrobenzamide

N-(2-aminophenyl)-2-chloro-5-nitrobenzamide (PubChem CID 43600048) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-chloro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-chloro-5-nitrobenzamide
PubChem CID43600048
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC NameN-(2-aminophenyl)-2-chloro-5-nitrobenzamide
SMILESNc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H10ClN3O3/c14-10-6-5-8(17(19)20)7-9(10)13(18)16-12-4-2-1-3-11(12)15/h1-7H,15H2,(H,16,18)
InChIKeyBQOALVUSTUPCPO-UHFFFAOYSA-N
XLogP3.08
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 N-(2-aminophenyl)-2-chloro-5-nitrobenzamide?
The IUPAC name of N-(2-aminophenyl)-2-chloro-5-nitrobenzamide (CID 43600048) is N-(2-aminophenyl)-2-chloro-5-nitrobenzamide.
What is the SMILES notation for N-(2-aminophenyl)-2-chloro-5-nitrobenzamide?
The canonical SMILES for N-(2-aminophenyl)-2-chloro-5-nitrobenzamide is Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-aminophenyl)-2-chloro-5-nitrobenzamide?
The InChIKey is BQOALVUSTUPCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-10-6-5-8(17(19)20)7-9(10)13(18)16-12-4-2-1-3-11(12)15/h1-7H,15H2,(H,16,18).
What are the key properties of N-(2-aminophenyl)-2-chloro-5-nitrobenzamide?
N-(2-aminophenyl)-2-chloro-5-nitrobenzamide has a molecular weight of 291.69 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-chloro-5-nitrobenzamide is sourced from PubChem (CID 43600048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).