N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide

C14H20F3N3O — CID 62241359

IUPACN-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
SMILESCCC(C)N(CC)C(=O)c1ccc(NN)c(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O/c1-4-9(3)20(5-2)13(21)10-6-7-12(19-18)11(8-10)14(15,16)17/h6-9,19H,4-5,18H2,1-3H3
InChIKeyQCPUXSZEQLPRJK-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.25
Rot. Bonds5

About N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide

N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide (PubChem CID 62241359) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
PubChem CID62241359
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
SMILESCCC(C)N(CC)C(=O)c1ccc(NN)c(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O/c1-4-9(3)20(5-2)13(21)10-6-7-12(19-18)11(8-10)14(15,16)17/h6-9,19H,4-5,18H2,1-3H3
InChIKeyQCPUXSZEQLPRJK-UHFFFAOYSA-N
XLogP3.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62241169
N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62242272
N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62247665
4-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)benzamide
CID 62236816
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 63726381
N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide
CID 62241178
4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62241747
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 62234841
N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide
CID 62168801
N-butan-2-yl-N-ethyl-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81255513
N-butan-2-yl-N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62681388
N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 63961442

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide (CID 62241359) is N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide is CCC(C)N(CC)C(=O)c1ccc(NN)c(C(F)(F)F)c1.
What is the InChIKey of N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide?
The InChIKey is QCPUXSZEQLPRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-4-9(3)20(5-2)13(21)10-6-7-12(19-18)11(8-10)14(15,16)17/h6-9,19H,4-5,18H2,1-3H3.
What are the key properties of N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide?
N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide has a molecular weight of 303.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62241359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).