3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide

C14H23FN4O — CID 106040313

IUPAC3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
SMILESCC(C)N(C)CCCNC(=O)c1cccc(F)c1NN
InChIInChI=1S/C14H23FN4O/c1-10(2)19(3)9-5-8-17-14(20)11-6-4-7-12(15)13(11)18-16/h4,6-7,10,18H,5,8-9,16H2,1-3H3,(H,17,20)
InChIKeyJLAYZDKMHSDERC-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.57
Rot. Bonds7

About 3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide

3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide (PubChem CID 106040313) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
PubChem CID106040313
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC Name3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
SMILESCC(C)N(C)CCCNC(=O)c1cccc(F)c1NN
InChIInChI=1S/C14H23FN4O/c1-10(2)19(3)9-5-8-17-14(20)11-6-4-7-12(15)13(11)18-16/h4,6-7,10,18H,5,8-9,16H2,1-3H3,(H,17,20)
InChIKeyJLAYZDKMHSDERC-UHFFFAOYSA-N
XLogP1.57
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 83114769
3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide
CID 114175770
2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033190
3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033172
4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033010
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146
3-fluoro-2-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340868
6-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106040275
2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide
CID 106040669
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-2-nitrobenzamide
CID 106050162
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
CID 64604122

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide (CID 106040313) is 3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide is CC(C)N(C)CCCNC(=O)c1cccc(F)c1NN.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The InChIKey is JLAYZDKMHSDERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-10(2)19(3)9-5-8-17-14(20)11-6-4-7-12(15)13(11)18-16/h4,6-7,10,18H,5,8-9,16H2,1-3H3,(H,17,20).
What are the key properties of 3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide has a molecular weight of 282.36 g/mol, XLogP of 1.57, 7 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-[3-[methyl(propan-2-yl)amino]propyl]benzamide is sourced from PubChem (CID 106040313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).