N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide

C17H18N2O5 — CID 17130519

IUPACN-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
SMILESCCOCCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O5/c1-2-23-11-12-24-14-9-7-13(8-10-14)18-17(20)15-5-3-4-6-16(15)19(21)22/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyRGKOWRUFZLXYFZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.26
Rot. Bonds8

About N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide

N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide (PubChem CID 17130519) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
PubChem CID17130519
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
SMILESCCOCCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O5/c1-2-23-11-12-24-14-9-7-13(8-10-14)18-17(20)15-5-3-4-6-16(15)19(21)22/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyRGKOWRUFZLXYFZ-UHFFFAOYSA-N
XLogP3.26
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
CID 17134030
N-[4-(2-methylpropoxy)phenyl]-2-nitrobenzamide
CID 4940473
2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 17130609
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide
CID 17130584
N-[(4-ethoxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 882509
2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 141275172
2-anilino-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 54784907
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
N-[(4-hexoxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 4939449

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide?
The IUPAC name of N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide (CID 17130519) is N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide?
The canonical SMILES for N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide is CCOCCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide?
The InChIKey is RGKOWRUFZLXYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-2-23-11-12-24-14-9-7-13(8-10-14)18-17(20)15-5-3-4-6-16(15)19(21)22/h3-10H,2,11-12H2,1H3,(H,18,20).
What are the key properties of N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide?
N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide has a molecular weight of 330.34 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 17130519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).