3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

C13H19FN4O — CID 62660266

IUPAC3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2cccc(F)c2NN)C1
InChIInChI=1S/C13H19FN4O/c1-18-6-5-9(8-18)7-16-13(19)10-3-2-4-11(14)12(10)17-15/h2-4,9,17H,5-8,15H2,1H3,(H,16,19)
InChIKeyYITZEJYTKYDQRQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.79
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 62660266) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID62660266
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2cccc(F)c2NN)C1
InChIInChI=1S/C13H19FN4O/c1-18-6-5-9(8-18)7-16-13(19)10-3-2-4-11(14)12(10)17-15/h2-4,9,17H,5-8,15H2,1H3,(H,16,19)
InChIKeyYITZEJYTKYDQRQ-UHFFFAOYSA-N
XLogP0.79
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661754
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
CID 62824048
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
4-hydrazinyl-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 113400240
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62660100
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (CID 62660266) is 3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is CN1CCC(CNC(=O)c2cccc(F)c2NN)C1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is YITZEJYTKYDQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-18-6-5-9(8-18)7-16-13(19)10-3-2-4-11(14)12(10)17-15/h2-4,9,17H,5-8,15H2,1H3,(H,16,19).
What are the key properties of 3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 62660266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).