5-amino-N-ethyl-N-methyl-2-nitrobenzamide

C10H13N3O3 — CID 62154758

IUPAC5-amino-N-ethyl-N-methyl-2-nitrobenzamide
SMILESCCN(C)C(=O)c1cc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-3-12(2)10(14)8-6-7(11)4-5-9(8)13(15)16/h4-6H,3,11H2,1-2H3
InChIKeyZNXLAPMCRYEZJP-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.27
Rot. Bonds3

About 5-amino-N-ethyl-N-methyl-2-nitrobenzamide

5-amino-N-ethyl-N-methyl-2-nitrobenzamide (PubChem CID 62154758) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-methyl-2-nitrobenzamide
PubChem CID62154758
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-amino-N-ethyl-N-methyl-2-nitrobenzamide
SMILESCCN(C)C(=O)c1cc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-3-12(2)10(14)8-6-7(11)4-5-9(8)13(15)16/h4-6H,3,11H2,1-2H3
InChIKeyZNXLAPMCRYEZJP-UHFFFAOYSA-N
XLogP1.27
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
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

5-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzamide
CID 79385427
5-amino-N-ethyl-2-nitro-N-propan-2-ylbenzamide
CID 55041640
5-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62162116
5-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-nitrobenzamide
CID 64517176
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-nitrobenzamide
CID 62161200
5-amino-N-(2-methylpropyl)-2-nitro-N-propan-2-ylbenzamide
CID 62185663
5-amino-N-ethyl-2-methoxy-N-methylbenzamide
CID 61094369
5-chloro-N-methyl-2-nitro-N-propylbenzamide
CID 43271301
5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 82743903
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide
CID 105420369
N,N-diethyl-5-hydroxy-2-nitrobenzamide
CID 102740327

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-methyl-2-nitrobenzamide?
The IUPAC name of 5-amino-N-ethyl-N-methyl-2-nitrobenzamide (CID 62154758) is 5-amino-N-ethyl-N-methyl-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-ethyl-N-methyl-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-ethyl-N-methyl-2-nitrobenzamide is CCN(C)C(=O)c1cc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 5-amino-N-ethyl-N-methyl-2-nitrobenzamide?
The InChIKey is ZNXLAPMCRYEZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-12(2)10(14)8-6-7(11)4-5-9(8)13(15)16/h4-6H,3,11H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-N-methyl-2-nitrobenzamide?
5-amino-N-ethyl-N-methyl-2-nitrobenzamide has a molecular weight of 223.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 62154758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).