2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide

C13H11F2N3O — CID 90063473

IUPAC2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide
SMILESNc1cccc(F)c1C(=O)NNc1ccc(F)cc1
InChIInChI=1S/C13H11F2N3O/c14-8-4-6-9(7-5-8)17-18-13(19)12-10(15)2-1-3-11(12)16/h1-7,17H,16H2,(H,18,19)
InChIKeyLXIYREQIKHTNRS-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.30
Rot. Bonds3

About 2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide

2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide (PubChem CID 90063473) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide.

Molecular Properties

Compound Name2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide
PubChem CID90063473
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide
SMILESNc1cccc(F)c1C(=O)NNc1ccc(F)cc1
InChIInChI=1S/C13H11F2N3O/c14-8-4-6-9(7-5-8)17-18-13(19)12-10(15)2-1-3-11(12)16/h1-7,17H,16H2,(H,18,19)
InChIKeyLXIYREQIKHTNRS-UHFFFAOYSA-N
XLogP2.30
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.30
H-Bond Donors ≤ 53
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

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CID 6942
1,2,3-Benzotriazin-4-one
CID 135408793
Indazolinone
CID 81829
2'-Phenylbenzohydrazide
CID 10774
Benzoic acid, 2-amino-, hydrazide
CID 94728
2-amino-N'-[2-(trifluoroacetyl)cyclopent-1-en-1-yl]benzohydrazide
CID 3464469
6-fluoro-1H-indazol-3-ol
CID 24728218
(2-nitrophenyl)-N-[(2-nitrophenyl)carbonylamino]carboxamide
CID 3098256
2-Amino-6-fluorobenzamide
CID 2778939
N'-(2-ethylphenyl)-3-phenylpropanohydrazide
CID 2811986
N'-(4-fluorophenyl)-3-phenylpropanohydrazide
CID 2811999
N'-(4-fluorophenyl)-4-propylbenzohydrazide
CID 2812001

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide?
The IUPAC name of 2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide (CID 90063473) is 2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide.
What is the SMILES notation for 2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide?
The canonical SMILES for 2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide is Nc1cccc(F)c1C(=O)NNc1ccc(F)cc1.
What is the InChIKey of 2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide?
The InChIKey is LXIYREQIKHTNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-8-4-6-9(7-5-8)17-18-13(19)12-10(15)2-1-3-11(12)16/h1-7,17H,16H2,(H,18,19).
What are the key properties of 2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide?
2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide has a molecular weight of 263.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N'-(4-fluorophenyl)benzohydrazide is sourced from PubChem (CID 90063473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).