3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide

C13H14FN5O — CID 62660449

IUPAC3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1nccc(CNC(=O)c2cccc(F)c2NN)n1
InChIInChI=1S/C13H14FN5O/c1-8-16-6-5-9(18-8)7-17-13(20)10-3-2-4-11(14)12(10)19-15/h2-6,19H,7,15H2,1H3,(H,17,20)
InChIKeyBTVBVIAXOOPAOL-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.14
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide

3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide (PubChem CID 62660449) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
PubChem CID62660449
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1nccc(CNC(=O)c2cccc(F)c2NN)n1
InChIInChI=1S/C13H14FN5O/c1-8-16-6-5-9(18-8)7-17-13(20)10-3-2-4-11(14)12(10)19-15/h2-6,19H,7,15H2,1H3,(H,17,20)
InChIKeyBTVBVIAXOOPAOL-UHFFFAOYSA-N
XLogP1.14
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-fluoro-2-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62661142
2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 113250752
3-fluoro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309300
3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82875128
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81255907
3-fluoro-2-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62989936
3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62662132
N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide
CID 60537589
2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]-3-nitrobenzamide
CID 103749147
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 106040117

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide (CID 62660449) is 3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide is Cc1nccc(CNC(=O)c2cccc(F)c2NN)n1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is BTVBVIAXOOPAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c1-8-16-6-5-9(18-8)7-17-13(20)10-3-2-4-11(14)12(10)19-15/h2-6,19H,7,15H2,1H3,(H,17,20).
What are the key properties of 3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 275.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 62660449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).