N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide

C14H13F2N3O — CID 62509085

IUPACN-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C14H13F2N3O/c1-8-5-6-11(19-17)9(7-8)14(20)18-12-4-2-3-10(15)13(12)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyQCVCTKAJPVDHAO-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.81
Rot. Bonds3

About N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide

N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide (PubChem CID 62509085) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide
PubChem CID62509085
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C14H13F2N3O/c1-8-5-6-11(19-17)9(7-8)14(20)18-12-4-2-3-10(15)13(12)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyQCVCTKAJPVDHAO-UHFFFAOYSA-N
XLogP2.81
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.81
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-(3-chloro-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62512161
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
2-hydrazinyl-N-(2-iodophenyl)-5-methylbenzamide
CID 62512985
N-(2-fluoro-5-methylphenyl)-2-hydrazinylbenzamide
CID 62243099
N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62513483
N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999
N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide
CID 106760779
2-hydrazinyl-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 62510956
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 107531322
2-(ethylamino)-N-(2-fluorophenyl)-5-methylbenzamide
CID 62511053
2-chloro-N-(2-fluorophenyl)-5-methylbenzamide
CID 122630269

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide (CID 62509085) is N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide is Cc1ccc(NN)c(C(=O)Nc2cccc(F)c2F)c1.
What is the InChIKey of N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide?
The InChIKey is QCVCTKAJPVDHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-8-5-6-11(19-17)9(7-8)14(20)18-12-4-2-3-10(15)13(12)16/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide?
N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide has a molecular weight of 277.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 62509085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).