N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide

C10H12FN3O2 — CID 91820804

IUPACN-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
SMILESNNC(=O)CCC(=O)Nc1ccccc1F
InChIInChI=1S/C10H12FN3O2/c11-7-3-1-2-4-8(7)13-9(15)5-6-10(16)14-12/h1-4H,5-6,12H2,(H,13,15)(H,14,16)
InChIKeyXPRFLTIYTFYFBF-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.53
Rot. Bonds4

About N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide

N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide (PubChem CID 91820804) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
PubChem CID91820804
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC NameN-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
SMILESNNC(=O)CCC(=O)Nc1ccccc1F
InChIInChI=1S/C10H12FN3O2/c11-7-3-1-2-4-8(7)13-9(15)5-6-10(16)14-12/h1-4H,5-6,12H2,(H,13,15)(H,14,16)
InChIKeyXPRFLTIYTFYFBF-UHFFFAOYSA-N
XLogP0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N-(2-fluorophenyl)butanamide
CID 849021
N'-(2-fluorophenyl)propanediamide
CID 70002209
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
N-(2-fluorophenyl)-5-hydroxypentanamide
CID 79019059
N-(2-fluorophenyl)hexanamide
CID 3481165
ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate
CID 4261484
3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide
CID 53397139
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(2-fluorophenyl)-2-isocyanoacetamide
CID 108814748
N-(2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107204141
3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 66220595

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide?
The IUPAC name of N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide (CID 91820804) is N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide?
The canonical SMILES for N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide is NNC(=O)CCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide?
The InChIKey is XPRFLTIYTFYFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-7-3-1-2-4-8(7)13-9(15)5-6-10(16)14-12/h1-4H,5-6,12H2,(H,13,15)(H,14,16).
What are the key properties of N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide?
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide has a molecular weight of 225.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide is sourced from PubChem (CID 91820804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).