4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide

C13H18F3N3O — CID 62234841

IUPAC4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
SMILESCCCCCNC(=O)c1ccc(NN)c(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c1-2-3-4-7-18-12(20)9-5-6-11(19-17)10(8-9)13(14,15)16/h5-6,8,19H,2-4,7,17H2,1H3,(H,18,20)
InChIKeyQDVKOHVWUGIOAS-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.91
Rot. Bonds6

About 4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide

4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide (PubChem CID 62234841) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
PubChem CID62234841
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
SMILESCCCCCNC(=O)c1ccc(NN)c(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c1-2-3-4-7-18-12(20)9-5-6-11(19-17)10(8-9)13(14,15)16/h5-6,8,19H,2-4,7,17H2,1H3,(H,18,20)
InChIKeyQDVKOHVWUGIOAS-UHFFFAOYSA-N
XLogP2.91
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide
CID 62186743
N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62247665
4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
CID 62171618
N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62241169
4-(methylamino)-N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)benzamide
CID 63964007
N-hexyl-3,4-dimethylbenzamide
CID 4523484
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
3,4-diamino-N-dodecylbenzamide
CID 22411166
4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62241747
N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62242272
4-bromo-N-(4-bromobutyl)-3-(trifluoromethyl)benzamide
CID 106845802

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide (CID 62234841) is 4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide is CCCCCNC(=O)c1ccc(NN)c(C(F)(F)F)c1.
What is the InChIKey of 4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide?
The InChIKey is QDVKOHVWUGIOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-3-4-7-18-12(20)9-5-6-11(19-17)10(8-9)13(14,15)16/h5-6,8,19H,2-4,7,17H2,1H3,(H,18,20).
What are the key properties of 4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide?
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62234841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).