4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide

C13H10F3N3O — CID 62237967

IUPAC4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide
SMILESNNc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C13H10F3N3O/c14-9-5-6-10(12(16)11(9)15)18-13(20)7-1-3-8(19-17)4-2-7/h1-6,19H,17H2,(H,18,20)
InChIKeyXJLKKCFODJAYQC-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.64
Rot. Bonds3

About 4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide

4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 62237967) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID62237967
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide
SMILESNNc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C13H10F3N3O/c14-9-5-6-10(12(16)11(9)15)18-13(20)7-1-3-8(19-17)4-2-7/h1-6,19H,17H2,(H,18,20)
InChIKeyXJLKKCFODJAYQC-UHFFFAOYSA-N
XLogP2.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide
CID 62241320
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 102850799
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109044714
4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 9095277
4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 16591110
2-amino-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 62151990

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide (CID 62237967) is 4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide is NNc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is XJLKKCFODJAYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-9-5-6-10(12(16)11(9)15)18-13(20)7-1-3-8(19-17)4-2-7/h1-6,19H,17H2,(H,18,20).
What are the key properties of 4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide?
4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 281.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 62237967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).