2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide

C11H14F2N2O2 — CID 116847504

IUPAC2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
SMILESCOc1cc(F)c(CC(=O)NN(C)C)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-15(2)14-11(16)5-7-4-9(13)10(17-3)6-8(7)12/h4,6H,5H2,1-3H3,(H,14,16)
InChIKeyHSLPYGIBWIDCLE-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.11
Rot. Bonds4

About 2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide

2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide (PubChem CID 116847504) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
PubChem CID116847504
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
SMILESCOc1cc(F)c(CC(=O)NN(C)C)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-15(2)14-11(16)5-7-4-9(13)10(17-3)6-8(7)12/h4,6H,5H2,1-3H3,(H,14,16)
InChIKeyHSLPYGIBWIDCLE-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163429
3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide
CID 116843529
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190275
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide
CID 115175825
1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168702
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 115219467
2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide
CID 115152405
2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide
CID 115151774
2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260283
2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847432

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide (CID 116847504) is 2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide is COc1cc(F)c(CC(=O)NN(C)C)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
The InChIKey is HSLPYGIBWIDCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-15(2)14-11(16)5-7-4-9(13)10(17-3)6-8(7)12/h4,6H,5H2,1-3H3,(H,14,16).
What are the key properties of 2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide has a molecular weight of 244.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 116847504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).