5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide

C13H9ClF3N3O — CID 62812110

IUPAC5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESNNc1ccc(Cl)cc1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H9ClF3N3O/c14-6-1-2-11(20-18)8(3-6)13(21)19-7-4-9(15)12(17)10(16)5-7/h1-5,20H,18H2,(H,19,21)
InChIKeyWGBBRDXCBVMGGI-UHFFFAOYSA-N
MW315.68 g/mol
LogP3.30
Rot. Bonds3

About 5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide

5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 62812110) has the molecular formula C13H9ClF3N3O and a molecular weight of 315.68 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID62812110
Molecular FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
Exact Mass315.04
IUPAC Name5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESNNc1ccc(Cl)cc1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H9ClF3N3O/c14-6-1-2-11(20-18)8(3-6)13(21)19-7-4-9(15)12(17)10(16)5-7/h1-5,20H,18H2,(H,19,21)
InChIKeyWGBBRDXCBVMGGI-UHFFFAOYSA-N
XLogP3.30
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 53.30
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

5-chloro-N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzamide
CID 62242667
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
5-chloro-N-(3-chlorophenyl)-2-hydrazinylbenzamide
CID 55052324
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
CID 22646340
5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62238383
5-chloro-2-hydrazinyl-N-(3-methylphenyl)benzamide
CID 62236027
5-chloro-N-(3,5-dimethylphenyl)-2-(methylamino)benzamide
CID 62165706
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
5-chloro-N-(2-chloro-4-iodophenyl)-2-hydrazinylbenzamide
CID 107606119
5-chloro-N-(2,5-dibromophenyl)-2-hydrazinylbenzamide
CID 62247491
5-chloro-N-(2,3-dimethylphenyl)-2-hydrazinylbenzamide
CID 62241246

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide (CID 62812110) is 5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide is NNc1ccc(Cl)cc1C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is WGBBRDXCBVMGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O/c14-6-1-2-11(20-18)8(3-6)13(21)19-7-4-9(15)12(17)10(16)5-7/h1-5,20H,18H2,(H,19,21).
What are the key properties of 5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide?
5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 315.68 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 62812110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).