5-(3-fluoro-N-methylanilino)pentanehydrazide

C12H18FN3O — CID 63583475

IUPAC5-(3-fluoro-N-methylanilino)pentanehydrazide
SMILESCN(CCCCC(=O)NN)c1cccc(F)c1
InChIInChI=1S/C12H18FN3O/c1-16(8-3-2-7-12(17)15-14)11-6-4-5-10(13)9-11/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,17)
InChIKeyFXJABNRSPMECTC-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.42
Rot. Bonds6

About 5-(3-fluoro-N-methylanilino)pentanehydrazide

5-(3-fluoro-N-methylanilino)pentanehydrazide (PubChem CID 63583475) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-(3-fluoro-N-methylanilino)pentanehydrazide.

Molecular Properties

Compound Name5-(3-fluoro-N-methylanilino)pentanehydrazide
PubChem CID63583475
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name5-(3-fluoro-N-methylanilino)pentanehydrazide
SMILESCN(CCCCC(=O)NN)c1cccc(F)c1
InChIInChI=1S/C12H18FN3O/c1-16(8-3-2-7-12(17)15-14)11-6-4-5-10(13)9-11/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,17)
InChIKeyFXJABNRSPMECTC-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64791344
3-(3-fluoro-N-methylanilino)propanal
CID 63041284
4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
CID 63053993
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid
CID 106806123
5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63583297
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63583474
1-(3-fluoro-N-methylanilino)butan-2-one
CID 62038249
5-(3-bromo-N-methylanilino)pentanoic acid
CID 115218995

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-N-methylanilino)pentanehydrazide?
The IUPAC name of 5-(3-fluoro-N-methylanilino)pentanehydrazide (CID 63583475) is 5-(3-fluoro-N-methylanilino)pentanehydrazide.
What is the SMILES notation for 5-(3-fluoro-N-methylanilino)pentanehydrazide?
The canonical SMILES for 5-(3-fluoro-N-methylanilino)pentanehydrazide is CN(CCCCC(=O)NN)c1cccc(F)c1.
What is the InChIKey of 5-(3-fluoro-N-methylanilino)pentanehydrazide?
The InChIKey is FXJABNRSPMECTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-16(8-3-2-7-12(17)15-14)11-6-4-5-10(13)9-11/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,17).
What are the key properties of 5-(3-fluoro-N-methylanilino)pentanehydrazide?
5-(3-fluoro-N-methylanilino)pentanehydrazide has a molecular weight of 239.29 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-N-methylanilino)pentanehydrazide is sourced from PubChem (CID 63583475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).