N-[2-(dimethylamino)ethyl]-2-nitrobenzamide

C11H15N3O3 — CID 15287848

IUPACN-[2-(dimethylamino)ethyl]-2-nitrobenzamide
SMILESCN(C)CCNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-13(2)8-7-12-11(15)9-5-3-4-6-10(9)14(16)17/h3-6H,7-8H2,1-2H3,(H,12,15)
InChIKeyRWWSBJHOLZAIGO-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.89
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-nitrobenzamide

N-[2-(dimethylamino)ethyl]-2-nitrobenzamide (PubChem CID 15287848) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-nitrobenzamide
PubChem CID15287848
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[2-(dimethylamino)ethyl]-2-nitrobenzamide
SMILESCN(C)CCNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-13(2)8-7-12-11(15)9-5-3-4-6-10(9)14(16)17/h3-6H,7-8H2,1-2H3,(H,12,15)
InChIKeyRWWSBJHOLZAIGO-UHFFFAOYSA-N
XLogP0.89
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 25395219
N-[2-(diethylamino)ethyl]-2-nitrobenzamide
CID 15943
N-[2-(dimethylamino)ethyl]-2-(methylamino)-3-nitrobenzamide
CID 112580559
N-[2-(dimethylamino)ethyl]-9-nitrothianthrene-1-carboxamide
CID 11523667
N-[3-(diethylamino)propyl]-2-nitrobenzamide
CID 3286089
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
2-chloro-N-[3-(dimethylamino)propyl]-3-nitrobenzamide
CID 19779109
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide
CID 16889417
N-(3-chloropropyl)-2-nitrobenzamide
CID 3113440
N-(3-iodopropyl)-2-nitrobenzamide
CID 114504241
N-[2-(dimethylamino)ethyl]-5-(ethylamino)-2-nitrobenzamide
CID 62171493
N-(cyanomethyl)-2-nitrobenzamide
CID 2227427

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-nitrobenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-nitrobenzamide (CID 15287848) is N-[2-(dimethylamino)ethyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-nitrobenzamide is CN(C)CCNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-nitrobenzamide?
The InChIKey is RWWSBJHOLZAIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13(2)8-7-12-11(15)9-5-3-4-6-10(9)14(16)17/h3-6H,7-8H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-nitrobenzamide?
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide has a molecular weight of 237.26 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-nitrobenzamide is sourced from PubChem (CID 15287848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).