N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide

C14H13ClFN3O — CID 107531322

IUPACN-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)Nc2cc(F)ccc2Cl)c1
InChIInChI=1S/C14H13ClFN3O/c1-8-2-5-12(19-17)10(6-8)14(20)18-13-7-9(16)3-4-11(13)15/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyDRUBTIFRXDKSDF-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.33
Rot. Bonds3

About N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide

N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide (PubChem CID 107531322) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
PubChem CID107531322
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC NameN-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)Nc2cc(F)ccc2Cl)c1
InChIInChI=1S/C14H13ClFN3O/c1-8-2-5-12(19-17)10(6-8)14(20)18-13-7-9(16)3-4-11(13)15/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyDRUBTIFRXDKSDF-UHFFFAOYSA-N
XLogP3.33
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.33
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-5-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 103733508
N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide
CID 107531156
N-(2-chloro-5-fluorophenyl)-2-hydrazinylbenzamide
CID 107531326
N-(3-chloro-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62512161
N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511235
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62509085
2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
CID 107528809
N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62513483
N-(2-chloro-5-fluorophenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717937
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide (CID 107531322) is N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide is Cc1ccc(NN)c(C(=O)Nc2cc(F)ccc2Cl)c1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide?
The InChIKey is DRUBTIFRXDKSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-8-2-5-12(19-17)10(6-8)14(20)18-13-7-9(16)3-4-11(13)15/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide?
N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide has a molecular weight of 293.73 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 107531322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).