N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide

C17H19N3O4 — CID 21444006

IUPACN-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide
SMILESCCOCCNC(=O)c1ccccc1Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O4/c1-2-24-11-10-18-17(21)15-8-3-4-9-16(15)19-13-6-5-7-14(12-13)20(22)23/h3-9,12,19H,2,10-11H2,1H3,(H,18,21)
InChIKeyZXBALAGJBMGZOD-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.10
Rot. Bonds8

About N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide

N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide (PubChem CID 21444006) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide
PubChem CID21444006
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide
SMILESCCOCCNC(=O)c1ccccc1Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O4/c1-2-24-11-10-18-17(21)15-8-3-4-9-16(15)19-13-6-5-7-14(12-13)20(22)23/h3-9,12,19H,2,10-11H2,1H3,(H,18,21)
InChIKeyZXBALAGJBMGZOD-UHFFFAOYSA-N
XLogP3.10
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
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-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide
CID 47291156
2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide
CID 9070894
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
2-(2,4-dinitroanilino)-N-ethylbenzamide
CID 4949475
ethyl 2-[(3-nitrophenyl)carbamoylamino]benzoate
CID 127563201
N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 2208926
N-butyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 17256737
2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide
CID 28635564
N-(2-ethoxyethyl)-5-fluoro-2-nitrobenzamide
CID 60877547

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide?
The IUPAC name of N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide (CID 21444006) is N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide is CCOCCNC(=O)c1ccccc1Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide?
The InChIKey is ZXBALAGJBMGZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-2-24-11-10-18-17(21)15-8-3-4-9-16(15)19-13-6-5-7-14(12-13)20(22)23/h3-9,12,19H,2,10-11H2,1H3,(H,18,21).
What are the key properties of N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide?
N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide has a molecular weight of 329.36 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide is sourced from PubChem (CID 21444006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).