N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide

C13H9Cl2F2N3O — CID 65499076

IUPACN-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESNNc1c(F)cc(C(=O)Nc2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C13H9Cl2F2N3O/c14-7-2-1-3-8(15)11(7)19-13(21)6-4-9(16)12(20-18)10(17)5-6/h1-5,20H,18H2,(H,19,21)
InChIKeyVBSHYCYVYXCYSV-UHFFFAOYSA-N
MW332.14 g/mol
LogP3.81
Rot. Bonds3

About N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide

N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 65499076) has the molecular formula C13H9Cl2F2N3O and a molecular weight of 332.14 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID65499076
Molecular FormulaC13H9Cl2F2N3O
Molecular Weight332.14 g/mol
Exact Mass331.01
IUPAC NameN-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESNNc1c(F)cc(C(=O)Nc2c(Cl)cccc2Cl)cc1F
InChIInChI=1S/C13H9Cl2F2N3O/c14-7-2-1-3-8(15)11(7)19-13(21)6-4-9(16)12(20-18)10(17)5-6/h1-5,20H,18H2,(H,19,21)
InChIKeyVBSHYCYVYXCYSV-UHFFFAOYSA-N
XLogP3.81
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 53.81
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

N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 66255840
N-(2-bromo-3-chlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 103481479
3,5-difluoro-N-(3-fluorophenyl)-4-hydrazinylbenzamide
CID 63186687
N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186135
N-(2-chloro-6-fluorophenyl)-3,5-dihydroxybenzamide
CID 107704313
N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186774
3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide
CID 63186781
3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide
CID 63186134
N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 63187023
3,5-difluoro-4-hydrazinyl-N-pyridin-3-ylbenzamide
CID 55158095
N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide
CID 107728554
N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186568

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide (CID 65499076) is N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide is NNc1c(F)cc(C(=O)Nc2c(Cl)cccc2Cl)cc1F.
What is the InChIKey of N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is VBSHYCYVYXCYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N3O/c14-7-2-1-3-8(15)11(7)19-13(21)6-4-9(16)12(20-18)10(17)5-6/h1-5,20H,18H2,(H,19,21).
What are the key properties of N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide?
N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide has a molecular weight of 332.14 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 65499076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).