4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide

C14H12F3N3O — CID 63212288

IUPAC4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide
SMILESCc1cc(C(=O)Nc2cc(F)c(F)cc2F)ccc1NN
InChIInChI=1S/C14H12F3N3O/c1-7-4-8(2-3-12(7)20-18)14(21)19-13-6-10(16)9(15)5-11(13)17/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeyCNRPIVXRZOLRJZ-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.95
Rot. Bonds3

About 4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide

4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide (PubChem CID 63212288) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide
PubChem CID63212288
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide
SMILESCc1cc(C(=O)Nc2cc(F)c(F)cc2F)ccc1NN
InChIInChI=1S/C14H12F3N3O/c1-7-4-8(2-3-12(7)20-18)14(21)19-13-6-10(16)9(15)5-11(13)17/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeyCNRPIVXRZOLRJZ-UHFFFAOYSA-N
XLogP2.95
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide
CID 107632237
N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 63211979
4-hydrazinyl-N-(4-iodophenyl)-3-methylbenzamide
CID 55162482
N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 83074778
N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104728259
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
4-hydrazinyl-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 63211576
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide?
The IUPAC name of 4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide (CID 63212288) is 4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide is Cc1cc(C(=O)Nc2cc(F)c(F)cc2F)ccc1NN.
What is the InChIKey of 4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide?
The InChIKey is CNRPIVXRZOLRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-7-4-8(2-3-12(7)20-18)14(21)19-13-6-10(16)9(15)5-11(13)17/h2-6,20H,18H2,1H3,(H,19,21).
What are the key properties of 4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide?
4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide has a molecular weight of 295.26 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 63212288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).