3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide

C11H16FN3O2 — CID 116849643

IUPAC3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CC(N)c1cc(F)ccc1OC
InChIInChI=1S/C11H16FN3O2/c1-14-15-11(16)6-9(13)8-5-7(12)3-4-10(8)17-2/h3-5,9,14H,6,13H2,1-2H3,(H,15,16)
InChIKeyCACVHDOEUDEECD-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.47
Rot. Bonds5

About 3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide

3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide (PubChem CID 116849643) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide.

Molecular Properties

Compound Name3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide
PubChem CID116849643
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CC(N)c1cc(F)ccc1OC
InChIInChI=1S/C11H16FN3O2/c1-14-15-11(16)6-9(13)8-5-7(12)3-4-10(8)17-2/h3-5,9,14H,6,13H2,1-2H3,(H,15,16)
InChIKeyCACVHDOEUDEECD-UHFFFAOYSA-N
XLogP0.47
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide
CID 116849719
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171205383
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
methyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171243535
3-(5-fluoro-2-methoxyphenyl)-3-(propan-2-ylamino)propanoic acid
CID 112518994
2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 116942190
ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
CID 171241430
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
ethyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171224920

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide?
The IUPAC name of 3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide (CID 116849643) is 3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide.
What is the SMILES notation for 3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide?
The canonical SMILES for 3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide is CNNC(=O)CC(N)c1cc(F)ccc1OC.
What is the InChIKey of 3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide?
The InChIKey is CACVHDOEUDEECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-14-15-11(16)6-9(13)8-5-7(12)3-4-10(8)17-2/h3-5,9,14H,6,13H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide?
3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide has a molecular weight of 241.27 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide is sourced from PubChem (CID 116849643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).