3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide

C14H13F2N3O — CID 63186781

IUPAC3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C14H13F2N3O/c1-8-4-2-3-5-12(8)18-14(20)9-6-10(15)13(19-17)11(16)7-9/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyXAGPGSHTKUJGID-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.81
Rot. Bonds3

About 3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide

3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide (PubChem CID 63186781) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide
PubChem CID63186781
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C14H13F2N3O/c1-8-4-2-3-5-12(8)18-14(20)9-6-10(15)13(19-17)11(16)7-9/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyXAGPGSHTKUJGID-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

4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 66255840
3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide
CID 63186090
N-(2-bromo-3-chlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 103481479
4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide
CID 63187147
N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186568
N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186135
N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63185694
N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 65499076
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
3,5-difluoro-N-(3-fluorophenyl)-4-hydrazinylbenzamide
CID 63186687
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide?
The IUPAC name of 3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide (CID 63186781) is 3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1cc(F)c(NN)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide?
The InChIKey is XAGPGSHTKUJGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-8-4-2-3-5-12(8)18-14(20)9-6-10(15)13(19-17)11(16)7-9/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of 3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide?
3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide 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 3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 63186781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).