2-amino-N-ethyl-4-nitrobenzamide

C9H11N3O3 — CID 71534016

IUPAC2-amino-N-ethyl-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C9H11N3O3/c1-2-11-9(13)7-4-3-6(12(14)15)5-8(7)10/h3-5H,2,10H2,1H3,(H,11,13)
InChIKeyDSSXCDQVDYDACZ-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.93
Rot. Bonds3

About 2-amino-N-ethyl-4-nitrobenzamide

2-amino-N-ethyl-4-nitrobenzamide (PubChem CID 71534016) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-nitrobenzamide
PubChem CID71534016
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-amino-N-ethyl-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C9H11N3O3/c1-2-11-9(13)7-4-3-6(12(14)15)5-8(7)10/h3-5H,2,10H2,1H3,(H,11,13)
InChIKeyDSSXCDQVDYDACZ-UHFFFAOYSA-N
XLogP0.93
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-4-nitrobenzohydrazide
CID 3575645
2-amino-N-[(4-chlorophenyl)methyl]-4-nitrobenzamide
CID 67362358
2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide
CID 139822137
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
2-amino-N-[(3,4-difluorophenyl)methyl]-4-nitrobenzamide
CID 68813120
2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide
CID 103464488
2-amino-N-ethyl-4-methylsulfonylbenzamide
CID 166594131
2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide
CID 62508624
2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
2-amino-N-(benzylcarbamothioyl)-4-nitrobenzamide
CID 139228065
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
2-amino-N-(3-butoxypropyl)-5-nitrobenzamide
CID 115597224

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-nitrobenzamide?
The IUPAC name of 2-amino-N-ethyl-4-nitrobenzamide (CID 71534016) is 2-amino-N-ethyl-4-nitrobenzamide.
What is the SMILES notation for 2-amino-N-ethyl-4-nitrobenzamide?
The canonical SMILES for 2-amino-N-ethyl-4-nitrobenzamide is CCNC(=O)c1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 2-amino-N-ethyl-4-nitrobenzamide?
The InChIKey is DSSXCDQVDYDACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-2-11-9(13)7-4-3-6(12(14)15)5-8(7)10/h3-5H,2,10H2,1H3,(H,11,13).
What are the key properties of 2-amino-N-ethyl-4-nitrobenzamide?
2-amino-N-ethyl-4-nitrobenzamide has a molecular weight of 209.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-nitrobenzamide is sourced from PubChem (CID 71534016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).