2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide

C14H10Cl2N2O3 — CID 710878

IUPAC2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-8-2-3-9(6-12(8)15)17-14(19)11-5-4-10(18(20)21)7-13(11)16/h2-7H,1H3,(H,17,19)
InChIKeyWIUULVUZROYUNO-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.46
Rot. Bonds3

About 2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide

2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide (PubChem CID 710878) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide
PubChem CID710878
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-8-2-3-9(6-12(8)15)17-14(19)11-5-4-10(18(20)21)7-13(11)16/h2-7H,1H3,(H,17,19)
InChIKeyWIUULVUZROYUNO-UHFFFAOYSA-N
XLogP4.46
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.46
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-(3-chloro-4-methylphenyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide (CID 710878) is 2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide is Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide?
The InChIKey is WIUULVUZROYUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-8-2-3-9(6-12(8)15)17-14(19)11-5-4-10(18(20)21)7-13(11)16/h2-7H,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide?
2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide has a molecular weight of 325.15 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 710878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).