N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide

C9H10FN3O2 — CID 62813947

IUPACN-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)NN)ccc1F
InChIInChI=1S/C9H10FN3O2/c1-5-4-6(2-3-7(5)10)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyYNKTYYXDPMJUKS-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.06
Rot. Bonds1

About N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide

N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide (PubChem CID 62813947) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide
PubChem CID62813947
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)NN)ccc1F
InChIInChI=1S/C9H10FN3O2/c1-5-4-6(2-3-7(5)10)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyYNKTYYXDPMJUKS-UHFFFAOYSA-N
XLogP0.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.06
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

N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide
CID 110933503
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
tert-butyl 2-(4-fluoro-3-methylanilino)-2-oxoacetate
CID 115141620
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115140347
1,3-bis(4-fluoro-3-methylphenyl)thiourea
CID 53365062
(4-fluoro-3-methylphenyl)hydrazine;hydrochloride
CID 18355387
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide (CID 62813947) is N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide is Cc1cc(NC(=O)C(=O)NN)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide?
The InChIKey is YNKTYYXDPMJUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c1-5-4-6(2-3-7(5)10)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide?
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide has a molecular weight of 211.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 62813947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).