N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide

C10H12FN3O2 — CID 43566530

IUPACN-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C10H12FN3O2/c11-8-3-1-2-7(6-8)4-5-13-9(15)10(16)14-12/h1-3,6H,4-5,12H2,(H,13,15)(H,14,16)
InChIKeyMADPDHORJHJIFI-UHFFFAOYSA-N
MW225.22 g/mol
LogP-0.53
Rot. Bonds3

About N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide

N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide (PubChem CID 43566530) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
PubChem CID43566530
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C10H12FN3O2/c11-8-3-1-2-7(6-8)4-5-13-9(15)10(16)14-12/h1-3,6H,4-5,12H2,(H,13,15)(H,14,16)
InChIKeyMADPDHORJHJIFI-UHFFFAOYSA-N
XLogP-0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
N-[2-(3-fluorophenyl)ethyl]-3-methylbut-2-enamide
CID 127125179
N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide
CID 108814904
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
4-[2-(3-fluorophenyl)ethylcarbamothioylamino]benzamide
CID 18416397

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide (CID 43566530) is N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide is NNC(=O)C(=O)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
The InChIKey is MADPDHORJHJIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-8-3-1-2-7(6-8)4-5-13-9(15)10(16)14-12/h1-3,6H,4-5,12H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide has a molecular weight of 225.22 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 43566530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).