N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide

C13H9BrF3N3O — CID 63186568

IUPACN-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESNNc1c(F)cc(C(=O)Nc2cc(Br)ccc2F)cc1F
InChIInChI=1S/C13H9BrF3N3O/c14-7-1-2-8(15)11(5-7)19-13(21)6-3-9(16)12(20-18)10(17)4-6/h1-5,20H,18H2,(H,19,21)
InChIKeyINBNYPVKGSJMMM-UHFFFAOYSA-N
MW360.13 g/mol
LogP3.40
Rot. Bonds3

About N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide

N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 63186568) has the molecular formula C13H9BrF3N3O and a molecular weight of 360.13 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID63186568
Molecular FormulaC13H9BrF3N3O
Molecular Weight360.13 g/mol
Exact Mass358.99
IUPAC NameN-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESNNc1c(F)cc(C(=O)Nc2cc(Br)ccc2F)cc1F
InChIInChI=1S/C13H9BrF3N3O/c14-7-1-2-8(15)11(5-7)19-13(21)6-3-9(16)12(20-18)10(17)4-6/h1-5,20H,18H2,(H,19,21)
InChIKeyINBNYPVKGSJMMM-UHFFFAOYSA-N
XLogP3.40
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 53.40
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

4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186774
N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186827
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
N-(2-bromo-3-chlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 103481479
N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103955653
3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide
CID 63186781
N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62513483
4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide
CID 63185804
N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110779489
N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63185694

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide (CID 63186568) is N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide is NNc1c(F)cc(C(=O)Nc2cc(Br)ccc2F)cc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is INBNYPVKGSJMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N3O/c14-7-1-2-8(15)11(5-7)19-13(21)6-3-9(16)12(20-18)10(17)4-6/h1-5,20H,18H2,(H,19,21).
What are the key properties of N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide has a molecular weight of 360.13 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 63186568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).