3-amino-4-fluorobenzohydrazide;hydrochloride

C7H9ClFN3O — CID 131133629

IUPAC3-amino-4-fluorobenzohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C7H8FN3O.ClH/c8-5-2-1-4(3-6(5)9)7(12)11-10;/h1-3H,9-10H2,(H,11,12);1H
InChIKeyIOKHMJDGSNIXNX-UHFFFAOYSA-N
MW205.62 g/mol
LogP0.43
Rot. Bonds1

About 3-amino-4-fluorobenzohydrazide;hydrochloride

3-amino-4-fluorobenzohydrazide;hydrochloride (PubChem CID 131133629) has the molecular formula C7H9ClFN3O and a molecular weight of 205.62 g/mol. Its IUPAC name is 3-amino-4-fluorobenzohydrazide;hydrochloride.

Molecular Properties

Compound Name3-amino-4-fluorobenzohydrazide;hydrochloride
PubChem CID131133629
Molecular FormulaC7H9ClFN3O
Molecular Weight205.62 g/mol
Exact Mass205.04
IUPAC Name3-amino-4-fluorobenzohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C7H8FN3O.ClH/c8-5-2-1-4(3-6(5)9)7(12)11-10;/h1-3H,9-10H2,(H,11,12);1H
InChIKeyIOKHMJDGSNIXNX-UHFFFAOYSA-N
XLogP0.43
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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

3-amino-4-hydroxybenzohydrazide;dihydrochloride
CID 22411252
3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide
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3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
3-cyano-4-fluorobenzohydrazide
CID 59234832
3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide
CID 64568397
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 43437028
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide
CID 110488257

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluorobenzohydrazide;hydrochloride?
The IUPAC name of 3-amino-4-fluorobenzohydrazide;hydrochloride (CID 131133629) is 3-amino-4-fluorobenzohydrazide;hydrochloride.
What is the SMILES notation for 3-amino-4-fluorobenzohydrazide;hydrochloride?
The canonical SMILES for 3-amino-4-fluorobenzohydrazide;hydrochloride is Cl.NNC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluorobenzohydrazide;hydrochloride?
The InChIKey is IOKHMJDGSNIXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O.ClH/c8-5-2-1-4(3-6(5)9)7(12)11-10;/h1-3H,9-10H2,(H,11,12);1H.
What are the key properties of 3-amino-4-fluorobenzohydrazide;hydrochloride?
3-amino-4-fluorobenzohydrazide;hydrochloride has a molecular weight of 205.62 g/mol, XLogP of 0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluorobenzohydrazide;hydrochloride is sourced from PubChem (CID 131133629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).