4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide

C11H14F3N3O — CID 115522193

IUPAC4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
SMILESNNc1ccc(C(=O)NCCCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-1-7-16-10(18)8-2-4-9(17-15)5-3-8/h2-5,17H,1,6-7,15H2,(H,16,18)
InChIKeyBKEFUDACFWTWCW-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.04
Rot. Bonds5

About 4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide

4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide (PubChem CID 115522193) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
PubChem CID115522193
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
SMILESNNc1ccc(C(=O)NCCCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-1-7-16-10(18)8-2-4-9(17-15)5-3-8/h2-5,17H,1,6-7,15H2,(H,16,18)
InChIKeyBKEFUDACFWTWCW-UHFFFAOYSA-N
XLogP2.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.04
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-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211
4-(aminomethyl)-N-(4,4,4-trifluorobutyl)benzamide;hydrochloride
CID 119322430
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
CID 62237082
4-(4,4,4-trifluorobutylcarbamoyl)benzenesulfonyl chloride
CID 115519611
4-(3-aminoprop-1-ynyl)-N-(4,4,4-trifluorobutyl)benzamide
CID 115521811
4-[(E)-N'-hydroxycarbamimidoyl]-N-(5,5,5-trifluoropentyl)benzamide
CID 115521654
3-amino-4-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326613
4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide
CID 115522197
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
4-bromo-3-methyl-N-(4,4,4-trifluorobutyl)benzamide
CID 113339239

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide?
The IUPAC name of 4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide (CID 115522193) is 4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide?
The canonical SMILES for 4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide is NNc1ccc(C(=O)NCCCC(F)(F)F)cc1.
What is the InChIKey of 4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide?
The InChIKey is BKEFUDACFWTWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)6-1-7-16-10(18)8-2-4-9(17-15)5-3-8/h2-5,17H,1,6-7,15H2,(H,16,18).
What are the key properties of 4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide?
4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide has a molecular weight of 261.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide is sourced from PubChem (CID 115522193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).