2-amino-N,N-dimethyl-3-nitrobenzamide

C9H11N3O3 — CID 58736106

IUPAC2-amino-N,N-dimethyl-3-nitrobenzamide
SMILESCN(C)C(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C9H11N3O3/c1-11(2)9(13)6-4-3-5-7(8(6)10)12(14)15/h3-5H,10H2,1-2H3
InChIKeyZCRKUBBODNBABQ-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.88
Rot. Bonds2

About 2-amino-N,N-dimethyl-3-nitrobenzamide

2-amino-N,N-dimethyl-3-nitrobenzamide (PubChem CID 58736106) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-nitrobenzamide
PubChem CID58736106
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-amino-N,N-dimethyl-3-nitrobenzamide
SMILESCN(C)C(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C9H11N3O3/c1-11(2)9(13)6-4-3-5-7(8(6)10)12(14)15/h3-5H,10H2,1-2H3
InChIKeyZCRKUBBODNBABQ-UHFFFAOYSA-N
XLogP0.88
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.88
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

2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide
CID 115703339
2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 115678617
2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide
CID 112551984
2-amino-N-butan-2-yl-N-ethyl-3-nitrobenzamide
CID 112580586
2-amino-N-(cyclobutylmethyl)-N-methyl-3-nitrobenzamide
CID 112696757
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide
CID 103191098
2-amino-N-(1-cyanopropan-2-yl)-N-methyl-3-nitrobenzamide
CID 112696662
2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
CID 115678607
2-amino-N-ethyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 115678872
2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 115878724
2-(dimethylcarbamoyl)-6-nitrobenzenediazonium;hydrogen sulfate
CID 134878133
2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide
CID 103733862

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-nitrobenzamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-nitrobenzamide (CID 58736106) is 2-amino-N,N-dimethyl-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-nitrobenzamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-nitrobenzamide is CN(C)C(=O)c1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N,N-dimethyl-3-nitrobenzamide?
The InChIKey is ZCRKUBBODNBABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-11(2)9(13)6-4-3-5-7(8(6)10)12(14)15/h3-5H,10H2,1-2H3.
What are the key properties of 2-amino-N,N-dimethyl-3-nitrobenzamide?
2-amino-N,N-dimethyl-3-nitrobenzamide has a molecular weight of 209.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 58736106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).