N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine

C8H10ClN3O2 — CID 2829584

IUPACN'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine
SMILESNCCNc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C8H10ClN3O2/c9-7-5-6(12(13)14)1-2-8(7)11-4-3-10/h1-2,5,11H,3-4,10H2
InChIKeyRDPNPSAGQXSAAH-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.62
Rot. Bonds4

About N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine

N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine (PubChem CID 2829584) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine
PubChem CID2829584
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC NameN'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine
SMILESNCCNc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C8H10ClN3O2/c9-7-5-6(12(13)14)1-2-8(7)11-4-3-10/h1-2,5,11H,3-4,10H2
InChIKeyRDPNPSAGQXSAAH-UHFFFAOYSA-N
XLogP1.62
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.62
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 N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine (CID 2829584) is N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine is NCCNc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine?
The InChIKey is RDPNPSAGQXSAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-7-5-6(12(13)14)1-2-8(7)11-4-3-10/h1-2,5,11H,3-4,10H2.
What are the key properties of N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine?
N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine has a molecular weight of 215.64 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 2829584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).