2-amino-3-fluoro-N',N'-dimethylbenzohydrazide

C9H12FN3O — CID 83021184

IUPAC2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1cccc(F)c1N
InChIInChI=1S/C9H12FN3O/c1-13(2)12-9(14)6-4-3-5-7(10)8(6)11/h3-5H,11H2,1-2H3,(H,12,14)
InChIKeyFNLQKGQRUCMMJB-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.61
Rot. Bonds2

About 2-amino-3-fluoro-N',N'-dimethylbenzohydrazide

2-amino-3-fluoro-N',N'-dimethylbenzohydrazide (PubChem CID 83021184) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-amino-3-fluoro-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
PubChem CID83021184
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1cccc(F)c1N
InChIInChI=1S/C9H12FN3O/c1-13(2)12-9(14)6-4-3-5-7(10)8(6)11/h3-5H,11H2,1-2H3,(H,12,14)
InChIKeyFNLQKGQRUCMMJB-UHFFFAOYSA-N
XLogP0.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518
2-amino-3-fluoro-N-methylsulfonylbenzamide
CID 103287711
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106148349
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061
2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 55099722
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
CID 55142391
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
CID 82818263
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N',N'-dimethylbenzohydrazide?
The IUPAC name of 2-amino-3-fluoro-N',N'-dimethylbenzohydrazide (CID 83021184) is 2-amino-3-fluoro-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 2-amino-3-fluoro-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 2-amino-3-fluoro-N',N'-dimethylbenzohydrazide is CN(C)NC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N',N'-dimethylbenzohydrazide?
The InChIKey is FNLQKGQRUCMMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-13(2)12-9(14)6-4-3-5-7(10)8(6)11/h3-5H,11H2,1-2H3,(H,12,14).
What are the key properties of 2-amino-3-fluoro-N',N'-dimethylbenzohydrazide?
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide has a molecular weight of 197.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 83021184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).