N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide

C13H10Cl2FN3O — CID 62660094

IUPACN-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
SMILESNNc1c(F)cccc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2FN3O/c14-9-5-4-7(6-10(9)15)18-13(20)8-2-1-3-11(16)12(8)19-17/h1-6,19H,17H2,(H,18,20)
InChIKeyVGQPKIPDBASOOY-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.67
Rot. Bonds3

About N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide

N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide (PubChem CID 62660094) has the molecular formula C13H10Cl2FN3O and a molecular weight of 314.15 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
PubChem CID62660094
Molecular FormulaC13H10Cl2FN3O
Molecular Weight314.15 g/mol
Exact Mass313.02
IUPAC NameN-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
SMILESNNc1c(F)cccc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2FN3O/c14-9-5-4-7(6-10(9)15)18-13(20)8-2-1-3-11(16)12(8)19-17/h1-6,19H,17H2,(H,18,20)
InChIKeyVGQPKIPDBASOOY-UHFFFAOYSA-N
XLogP3.67
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
CID 62661688
3-fluoro-2-hydrazinyl-N-pyridin-3-ylbenzamide
CID 62660800
N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660804
N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide
CID 62660783
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661409
N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide
CID 107578899
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810
2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 79039798
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide
CID 82861957

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide (CID 62660094) is N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide is NNc1c(F)cccc1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is VGQPKIPDBASOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O/c14-9-5-4-7(6-10(9)15)18-13(20)8-2-1-3-11(16)12(8)19-17/h1-6,19H,17H2,(H,18,20).
What are the key properties of N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide?
N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 314.15 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 62660094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).