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

C15H15F2N3O — CID 63186090

IUPAC3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C15H15F2N3O/c1-9-4-2-3-5-10(9)8-19-15(21)11-6-12(16)14(20-18)13(17)7-11/h2-7,20H,8,18H2,1H3,(H,19,21)
InChIKeyMKMYDYHAOUKFIM-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.49
Rot. Bonds4

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

3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 63186090) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide
PubChem CID63186090
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C15H15F2N3O/c1-9-4-2-3-5-10(9)8-19-15(21)11-6-12(16)14(20-18)13(17)7-11/h2-7,20H,8,18H2,1H3,(H,19,21)
InChIKeyMKMYDYHAOUKFIM-UHFFFAOYSA-N
XLogP2.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.49
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

3,5-difluoro-4-hydrazinyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114957550
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide
CID 63186781
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide
CID 106040107
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115735463
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111360816

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide (CID 63186090) is 3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide is Cc1ccccc1CNC(=O)c1cc(F)c(NN)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is MKMYDYHAOUKFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-9-4-2-3-5-10(9)8-19-15(21)11-6-12(16)14(20-18)13(17)7-11/h2-7,20H,8,18H2,1H3,(H,19,21).
What are the key properties of 3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide?
3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 291.30 g/mol, XLogP of 2.49, 4 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)methyl]benzamide is sourced from PubChem (CID 63186090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).