N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide

C13H16F3N3O — CID 62242272

IUPACN-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1ccc(NN)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H16F3N3O/c1-2-19(9-4-5-9)12(20)8-3-6-11(18-17)10(7-8)13(14,15)16/h3,6-7,9,18H,2,4-5,17H2,1H3
InChIKeyHWTBLYSSBAELQH-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.62
Rot. Bonds4

About N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide

N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide (PubChem CID 62242272) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
PubChem CID62242272
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC NameN-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1ccc(NN)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H16F3N3O/c1-2-19(9-4-5-9)12(20)8-3-6-11(18-17)10(7-8)13(14,15)16/h3,6-7,9,18H,2,4-5,17H2,1H3
InChIKeyHWTBLYSSBAELQH-UHFFFAOYSA-N
XLogP2.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.62
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-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62241359
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 63726381
N-cyclopropyl-4-(ethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 62167915
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
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
N-cyclopropyl-N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 62241905
N-cyclohexyl-N-ethyl-4-hydrazinylbenzamide
CID 62248667
4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide
CID 64521049
4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62241747
5-chloro-N-cyclohexyl-N-ethyl-2-hydrazinylbenzamide
CID 62248307

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide (CID 62242272) is N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide is CCN(C(=O)c1ccc(NN)c(C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide?
The InChIKey is HWTBLYSSBAELQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-2-19(9-4-5-9)12(20)8-3-6-11(18-17)10(7-8)13(14,15)16/h3,6-7,9,18H,2,4-5,17H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide?
N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide has a molecular weight of 287.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62242272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).