N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide

C13H9F3N2O2S — CID 7979324

IUPACN'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2S/c14-13(15,16)9-4-1-3-8(7-9)11(19)17-18-12(20)10-5-2-6-21-10/h1-7H,(H,17,19)(H,18,20)
InChIKeyJUUWMFTYIMVGEZ-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.84
Rot. Bonds2

About N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide

N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide (PubChem CID 7979324) has the molecular formula C13H9F3N2O2S and a molecular weight of 314.29 g/mol. Its IUPAC name is N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
PubChem CID7979324
Molecular FormulaC13H9F3N2O2S
Molecular Weight314.29 g/mol
Exact Mass314.03
IUPAC NameN'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2S/c14-13(15,16)9-4-1-3-8(7-9)11(19)17-18-12(20)10-5-2-6-21-10/h1-7H,(H,17,19)(H,18,20)
InChIKeyJUUWMFTYIMVGEZ-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide
CID 25225801
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethyl)benzoate
CID 4559758
N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617155
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-(trifluoromethyl)benzoate
CID 19324303
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide
CID 1485303
N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide
CID 174746651
5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 43474861
2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide
CID 27171508
N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 2811204

Frequently Asked Questions

What is the IUPAC name of N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide (CID 7979324) is N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide is O=C(NNC(=O)c1cccs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
The InChIKey is JUUWMFTYIMVGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2S/c14-13(15,16)9-4-1-3-8(7-9)11(19)17-18-12(20)10-5-2-6-21-10/h1-7H,(H,17,19)(H,18,20).
What are the key properties of N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide has a molecular weight of 314.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 7979324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).