N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride

C10H13ClFN3O4 — CID 119384116

IUPACN-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
SMILESCl.NCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H12FN3O4.ClH/c11-8-5-7(1-2-9(8)14(16)17)18-6-10(15)13-4-3-12;/h1-2,5H,3-4,6,12H2,(H,13,15);1H
InChIKeyIKBYQJWISMRMBN-UHFFFAOYSA-N
MW293.68 g/mol
LogP0.61
Rot. Bonds6

About N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride

N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride (PubChem CID 119384116) has the molecular formula C10H13ClFN3O4 and a molecular weight of 293.68 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
PubChem CID119384116
Molecular FormulaC10H13ClFN3O4
Molecular Weight293.68 g/mol
Exact Mass293.06
IUPAC NameN-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
SMILESCl.NCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H12FN3O4.ClH/c11-8-5-7(1-2-9(8)14(16)17)18-6-10(15)13-4-3-12;/h1-2,5H,3-4,6,12H2,(H,13,15);1H
InChIKeyIKBYQJWISMRMBN-UHFFFAOYSA-N
XLogP0.61
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(cyanomethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 78989504
N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 119523608
2-(3-fluoro-4-nitrophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829431
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
CID 119526498
N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide
CID 148891313
N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 119567004
2-(3-fluoro-4-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120946560
N-(3-aminopropyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 119406208
N-butan-2-yl-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 47449672
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide
CID 154627401

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride (CID 119384116) is N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride is Cl.NCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride?
The InChIKey is IKBYQJWISMRMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4.ClH/c11-8-5-7(1-2-9(8)14(16)17)18-6-10(15)13-4-3-12;/h1-2,5H,3-4,6,12H2,(H,13,15);1H.
What are the key properties of N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride has a molecular weight of 293.68 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119384116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).