N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide

C9H9F2N3O2 — CID 146597480

IUPACN-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C9H9F2N3O2/c10-6-2-1-3-7(11)5(6)4-13-8(15)9(16)14-12/h1-3H,4,12H2,(H,13,15)(H,14,16)
InChIKeyZGUPHHMQDSODGM-UHFFFAOYSA-N
MW229.19 g/mol
LogP-0.43
Rot. Bonds2

About N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide

N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide (PubChem CID 146597480) has the molecular formula C9H9F2N3O2 and a molecular weight of 229.19 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
PubChem CID146597480
Molecular FormulaC9H9F2N3O2
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C9H9F2N3O2/c10-6-2-1-3-7(11)5(6)4-13-8(15)9(16)14-12/h1-3H,4,12H2,(H,13,15)(H,14,16)
InChIKeyZGUPHHMQDSODGM-UHFFFAOYSA-N
XLogP-0.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-0.43
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-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride
CID 130684116
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
N-[(2,5-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 63791911
(2,6-difluorophenyl)methylthiourea;hydrobromide
CID 173140070
(2,6-difluorophenyl) 2-hydrazinyl-2-oxoacetate
CID 174886798
N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide
CID 164823078
N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 110838402
N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide
CID 110838253
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]acetamide
CID 28684466
4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide
CID 69070072
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea
CID 155260598
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide (CID 146597480) is N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide is NNC(=O)C(=O)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide?
The InChIKey is ZGUPHHMQDSODGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O2/c10-6-2-1-3-7(11)5(6)4-13-8(15)9(16)14-12/h1-3H,4,12H2,(H,13,15)(H,14,16).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide?
N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide has a molecular weight of 229.19 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 146597480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).