N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide

C13H16FN3O — CID 134209959

IUPACN'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide
SMILESCN1CC2CC2C1C(=O)NNc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c1-17-7-8-6-11(8)12(17)13(18)16-15-10-4-2-9(14)3-5-10/h2-5,8,11-12,15H,6-7H2,1H3,(H,16,18)
InChIKeyYEIZBIQBJFVUHL-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.22
Rot. Bonds3

About N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide

N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide (PubChem CID 134209959) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide
PubChem CID134209959
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide
SMILESCN1CC2CC2C1C(=O)NNc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c1-17-7-8-6-11(8)12(17)13(18)16-15-10-4-2-9(14)3-5-10/h2-5,8,11-12,15H,6-7H2,1H3,(H,16,18)
InChIKeyYEIZBIQBJFVUHL-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-[(4-fluoroanilino)carbamoyl]-1-methylpyrrolidin-3-yl] carbamate
CID 155092287
(1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 124808065
(1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide
CID 170258058
N-cyclopropyl-4-fluoro-2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carboxamide
CID 134210112
(1R,2R,5S)-3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 11877569
(1S,2R,5R)-3-(4-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 11877567
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
(3S)-1-(4-bromophenyl)-N'-(4-fluorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51932064
(2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide
CID 124978428
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
CID 51935537
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide?
The IUPAC name of N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide (CID 134209959) is N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide is CN1CC2CC2C1C(=O)NNc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide?
The InChIKey is YEIZBIQBJFVUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-17-7-8-6-11(8)12(17)13(18)16-15-10-4-2-9(14)3-5-10/h2-5,8,11-12,15H,6-7H2,1H3,(H,16,18).
What are the key properties of N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide?
N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide has a molecular weight of 249.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbohydrazide is sourced from PubChem (CID 134209959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).