N-(2-aminooxyethyl)-4-fluorobenzamide

C9H11FN2O2 — CID 39239976

IUPACN-(2-aminooxyethyl)-4-fluorobenzamide
SMILESNOCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H11FN2O2/c10-8-3-1-7(2-4-8)9(13)12-5-6-14-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyBBQAVSHCSLQYTB-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.45
Rot. Bonds4

About N-(2-aminooxyethyl)-4-fluorobenzamide

N-(2-aminooxyethyl)-4-fluorobenzamide (PubChem CID 39239976) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is N-(2-aminooxyethyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminooxyethyl)-4-fluorobenzamide
PubChem CID39239976
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC NameN-(2-aminooxyethyl)-4-fluorobenzamide
SMILESNOCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H11FN2O2/c10-8-3-1-7(2-4-8)9(13)12-5-6-14-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyBBQAVSHCSLQYTB-UHFFFAOYSA-N
XLogP0.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminooxyethyl)-4-methylbenzamide
CID 39239063
N-(2-aminooxyethyl)-2-(4-fluorophenyl)acetamide
CID 39243053
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
2-[2-[(4-fluorobenzoyl)amino]ethoxy]acetic acid
CID 79456610
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
N-(3-aminooxypropyl)-4-methylbenzamide
CID 39242066
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxyethyl)-4-fluorobenzamide?
The IUPAC name of N-(2-aminooxyethyl)-4-fluorobenzamide (CID 39239976) is N-(2-aminooxyethyl)-4-fluorobenzamide.
What is the SMILES notation for N-(2-aminooxyethyl)-4-fluorobenzamide?
The canonical SMILES for N-(2-aminooxyethyl)-4-fluorobenzamide is NOCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-aminooxyethyl)-4-fluorobenzamide?
The InChIKey is BBQAVSHCSLQYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-8-3-1-7(2-4-8)9(13)12-5-6-14-11/h1-4H,5-6,11H2,(H,12,13).
What are the key properties of N-(2-aminooxyethyl)-4-fluorobenzamide?
N-(2-aminooxyethyl)-4-fluorobenzamide has a molecular weight of 198.20 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminooxyethyl)-4-fluorobenzamide is sourced from PubChem (CID 39239976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).