2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide

C9H11FN4O3 — CID 107123296

IUPAC2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide
SMILESCN(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N
InChIInChI=1S/C9H11FN4O3/c1-13(2)12-9(15)6-3-5(10)4-7(8(6)11)14(16)17/h3-4H,11H2,1-2H3,(H,12,15)
InChIKeyGVBSVUQXTJDBGE-UHFFFAOYSA-N
MW242.21 g/mol
LogP0.52
Rot. Bonds3

About 2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide

2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide (PubChem CID 107123296) has the molecular formula C9H11FN4O3 and a molecular weight of 242.21 g/mol. Its IUPAC name is 2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide.

Molecular Properties

Compound Name2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide
PubChem CID107123296
Molecular FormulaC9H11FN4O3
Molecular Weight242.21 g/mol
Exact Mass242.08
IUPAC Name2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide
SMILESCN(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N
InChIInChI=1S/C9H11FN4O3/c1-13(2)12-9(15)6-3-5(10)4-7(8(6)11)14(16)17/h3-4H,11H2,1-2H3,(H,12,15)
InChIKeyGVBSVUQXTJDBGE-UHFFFAOYSA-N
XLogP0.52
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-fluoro-3-nitrobenzamide
CID 107123097
2-amino-5-fluoro-3-nitrobenzoic acid;ethane
CID 144759902
2-amino-5-fluoro-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 103720356
2-amino-N-(2,2-dimethylbutyl)-5-fluoro-3-nitrobenzamide
CID 106548251
2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 103709597
2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120829397
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide
CID 107123224
2-amino-N-(4-ethyl-3-nitrophenyl)-5-fluoro-3-nitrobenzamide
CID 87044502
2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 55825075
2-amino-N-[4-(tert-butylcarbamoyl)phenyl]-5-fluoro-3-nitrobenzamide
CID 47051567
2-amino-5-fluoro-N-(3-methyloxolan-3-yl)-3-nitrobenzamide
CID 107123346
2-amino-5-fluoro-N-(5-hydroxypentyl)-N-methyl-3-nitrobenzamide
CID 107201138

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide?
The IUPAC name of 2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide (CID 107123296) is 2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide.
What is the SMILES notation for 2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide?
The canonical SMILES for 2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide is CN(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide?
The InChIKey is GVBSVUQXTJDBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O3/c1-13(2)12-9(15)6-3-5(10)4-7(8(6)11)14(16)17/h3-4H,11H2,1-2H3,(H,12,15).
What are the key properties of 2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide?
2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide has a molecular weight of 242.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide is sourced from PubChem (CID 107123296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).