2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide

C15H12Cl2N2O3 — CID 896803

IUPAC2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-11-3-1-2-10(8-11)6-7-18-15(20)13-5-4-12(19(21)22)9-14(13)17/h1-5,8-9H,6-7H2,(H,18,20)
InChIKeyWVPGWLQZNPLELB-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.87
Rot. Bonds5

About 2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide

2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide (PubChem CID 896803) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide
PubChem CID896803
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-11-3-1-2-10(8-11)6-7-18-15(20)13-5-4-12(19(21)22)9-14(13)17/h1-5,8-9H,6-7H2,(H,18,20)
InChIKeyWVPGWLQZNPLELB-UHFFFAOYSA-N
XLogP3.87
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.87
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-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide (CID 896803) is 2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide is O=C(NCCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide?
The InChIKey is WVPGWLQZNPLELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-11-3-1-2-10(8-11)6-7-18-15(20)13-5-4-12(19(21)22)9-14(13)17/h1-5,8-9H,6-7H2,(H,18,20).
What are the key properties of 2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide?
2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide has a molecular weight of 339.18 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-chlorophenyl)ethyl]-4-nitrobenzamide is sourced from PubChem (CID 896803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).