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

C17H18N2O5 — CID 17134030

IUPACN-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
SMILESCCOCCOc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-2-23-11-12-24-16-10-6-4-8-14(16)18-17(20)13-7-3-5-9-15(13)19(21)22/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyUUFGZSDUSVCPAO-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.26
Rot. Bonds8

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

N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide (PubChem CID 17134030) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
PubChem CID17134030
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
SMILESCCOCCOc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-2-23-11-12-24-16-10-6-4-8-14(16)18-17(20)13-7-3-5-9-15(13)19(21)22/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyUUFGZSDUSVCPAO-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

2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
CID 17130519
N-[(2-ethoxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 898993
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
CID 55460788
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872
2-(2-ethoxyethoxy)-N-(2-fluorophenyl)benzamide
CID 17122747
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17134093
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide?
The IUPAC name of N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide (CID 17134030) is N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide is CCOCCOc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide?
The InChIKey is UUFGZSDUSVCPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-2-23-11-12-24-16-10-6-4-8-14(16)18-17(20)13-7-3-5-9-15(13)19(21)22/h3-10H,2,11-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide?
N-[2-(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-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 17134030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).