3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide

C11H15F2N3O2 — CID 116849719

IUPAC3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CC(N)c1cc(F)c(OC)cc1F
InChIInChI=1S/C11H15F2N3O2/c1-15-16-11(17)5-9(14)6-3-8(13)10(18-2)4-7(6)12/h3-4,9,15H,5,14H2,1-2H3,(H,16,17)
InChIKeyTXMJJKGVRWWYKM-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.61
Rot. Bonds5

About 3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide

3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide (PubChem CID 116849719) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide.

Molecular Properties

Compound Name3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide
PubChem CID116849719
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide
SMILESCNNC(=O)CC(N)c1cc(F)c(OC)cc1F
InChIInChI=1S/C11H15F2N3O2/c1-15-16-11(17)5-9(14)6-3-8(13)10(18-2)4-7(6)12/h3-4,9,15H,5,14H2,1-2H3,(H,16,17)
InChIKeyTXMJJKGVRWWYKM-UHFFFAOYSA-N
XLogP0.61
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.61
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

3-amino-3-(4-fluoro-2,5-dimethoxyphenyl)propanoic acid
CID 117359297
3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide
CID 116849643
2-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide
CID 116847082
2-(2,5-difluoro-4-methoxyphenyl)-2-(methylamino)acetamide
CID 116961673
methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate
CID 116964440
3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
CID 84691033
3-amino-3-(2,5-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 116938095
3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol
CID 84782788
3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
CID 116850705
3-amino-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoic acid
CID 117115911
4-amino-4-(4-fluoro-2,5-dimethoxyphenyl)butanoic acid
CID 117395965
5-amino-5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentanamide
CID 62942200

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide?
The IUPAC name of 3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide (CID 116849719) is 3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide.
What is the SMILES notation for 3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide?
The canonical SMILES for 3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide is CNNC(=O)CC(N)c1cc(F)c(OC)cc1F.
What is the InChIKey of 3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide?
The InChIKey is TXMJJKGVRWWYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-15-16-11(17)5-9(14)6-3-8(13)10(18-2)4-7(6)12/h3-4,9,15H,5,14H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide?
3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide has a molecular weight of 259.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide is sourced from PubChem (CID 116849719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).