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

C15H13ClN2O3 — CID 710809

IUPAC2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide
SMILESCCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-2-10-5-3-4-6-14(10)17-15(19)12-9-11(18(20)21)7-8-13(12)16/h3-9H,2H2,1H3,(H,17,19)
InChIKeySWMIVNNGDPOPMN-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.06
Rot. Bonds4

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

2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide (PubChem CID 710809) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide
PubChem CID710809
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide
SMILESCCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-2-10-5-3-4-6-14(10)17-15(19)12-9-11(18(20)21)7-8-13(12)16/h3-9H,2H2,1H3,(H,17,19)
InChIKeySWMIVNNGDPOPMN-UHFFFAOYSA-N
XLogP4.06
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.06
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-ethylphenyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide (CID 710809) is 2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide is CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide?
The InChIKey is SWMIVNNGDPOPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-2-10-5-3-4-6-14(10)17-15(19)12-9-11(18(20)21)7-8-13(12)16/h3-9H,2H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide?
2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide has a molecular weight of 304.73 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylphenyl)-5-nitrobenzamide is sourced from PubChem (CID 710809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).