3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide

C12H18FN3O — CID 79631069

IUPAC3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
SMILESCN(CC(C)(C)C(=O)NN)c1cccc(F)c1
InChIInChI=1S/C12H18FN3O/c1-12(2,11(17)15-14)8-16(3)10-6-4-5-9(13)7-10/h4-7H,8,14H2,1-3H3,(H,15,17)
InChIKeyMXBFEVOERKTPEF-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.28
Rot. Bonds4

About 3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide

3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide (PubChem CID 79631069) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
PubChem CID79631069
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
SMILESCN(CC(C)(C)C(=O)NN)c1cccc(F)c1
InChIInChI=1S/C12H18FN3O/c1-12(2,11(17)15-14)8-16(3)10-6-4-5-9(13)7-10/h4-7H,8,14H2,1-3H3,(H,15,17)
InChIKeyMXBFEVOERKTPEF-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193607
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79626955
5-(3-fluoro-N-methylanilino)pentanehydrazide
CID 63583475
2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259102
1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487752
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63583297
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63583474
1-N-(3-fluorophenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453425
1-(3-fluoro-N-methylanilino)butan-2-one
CID 62038249
methyl 3-(N-ethyl-3-fluoroanilino)-2,2-dimethylpropanoate
CID 79621537

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide (CID 79631069) is 3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide is CN(CC(C)(C)C(=O)NN)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide?
The InChIKey is MXBFEVOERKTPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-12(2,11(17)15-14)8-16(3)10-6-4-5-9(13)7-10/h4-7H,8,14H2,1-3H3,(H,15,17).
What are the key properties of 3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide?
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide has a molecular weight of 239.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79631069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).