4-amino-2-fluorobenzohydrazide;formic acid

C8H10FN3O3 — CID 175317690

IUPAC4-amino-2-fluorobenzohydrazide;formic acid
SMILESNNC(=O)c1ccc(N)cc1F.O=CO
InChIInChI=1S/C7H8FN3O.CH2O2/c8-6-3-4(9)1-2-5(6)7(12)11-10;2-1-3/h1-3H,9-10H2,(H,11,12);1H,(H,2,3)
InChIKeyNJZRJDGJRMLKAS-UHFFFAOYSA-N
MW215.18 g/mol
LogP-0.29
Rot. Bonds1

About 4-amino-2-fluorobenzohydrazide;formic acid

4-amino-2-fluorobenzohydrazide;formic acid (PubChem CID 175317690) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 4-amino-2-fluorobenzohydrazide;formic acid.

Molecular Properties

Compound Name4-amino-2-fluorobenzohydrazide;formic acid
PubChem CID175317690
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name4-amino-2-fluorobenzohydrazide;formic acid
SMILESNNC(=O)c1ccc(N)cc1F.O=CO
InChIInChI=1S/C7H8FN3O.CH2O2/c8-6-3-4(9)1-2-5(6)7(12)11-10;2-1-3/h1-3H,9-10H2,(H,11,12);1H,(H,2,3)
InChIKeyNJZRJDGJRMLKAS-UHFFFAOYSA-N
XLogP-0.29
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066
2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 103870021
2-[(4-amino-2-fluorobenzoyl)amino]butanedioic acid
CID 107794763
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
1-(4-amino-2-fluorophenyl)ethanone;hydrochloride
CID 118817764
4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide
CID 63994432
4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
CID 113409457
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817
4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluorobenzohydrazide;formic acid?
The IUPAC name of 4-amino-2-fluorobenzohydrazide;formic acid (CID 175317690) is 4-amino-2-fluorobenzohydrazide;formic acid.
What is the SMILES notation for 4-amino-2-fluorobenzohydrazide;formic acid?
The canonical SMILES for 4-amino-2-fluorobenzohydrazide;formic acid is NNC(=O)c1ccc(N)cc1F.O=CO.
What is the InChIKey of 4-amino-2-fluorobenzohydrazide;formic acid?
The InChIKey is NJZRJDGJRMLKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O.CH2O2/c8-6-3-4(9)1-2-5(6)7(12)11-10;2-1-3/h1-3H,9-10H2,(H,11,12);1H,(H,2,3).
What are the key properties of 4-amino-2-fluorobenzohydrazide;formic acid?
4-amino-2-fluorobenzohydrazide;formic acid has a molecular weight of 215.18 g/mol, XLogP of -0.29, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluorobenzohydrazide;formic acid is sourced from PubChem (CID 175317690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).