N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide

C11H14FN3O3 — CID 114231088

IUPACN-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide
SMILESCCN(CCN)C(=O)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c1-2-14(6-5-13)11(16)9-4-3-8(12)7-10(9)15(17)18/h3-4,7H,2,5-6,13H2,1H3
InChIKeyJFQILLNAZDUGCZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.15
Rot. Bonds5

About N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide

N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide (PubChem CID 114231088) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide
PubChem CID114231088
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC NameN-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide
SMILESCCN(CCN)C(=O)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c1-2-14(6-5-13)11(16)9-4-3-8(12)7-10(9)15(17)18/h3-4,7H,2,5-6,13H2,1H3
InChIKeyJFQILLNAZDUGCZ-UHFFFAOYSA-N
XLogP1.15
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.15
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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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide (CID 114231088) is N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide is CCN(CCN)C(=O)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide?
The InChIKey is JFQILLNAZDUGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-2-14(6-5-13)11(16)9-4-3-8(12)7-10(9)15(17)18/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide?
N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide has a molecular weight of 255.25 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-4-fluoro-2-nitrobenzamide is sourced from PubChem (CID 114231088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).