3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide

C14H12ClF3N2OS — CID 56518742

IUPAC3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide
SMILESO=C(CCc1ccc(Cl)s1)NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12ClF3N2OS/c15-12-6-4-11(22-12)5-7-13(21)20-19-10-3-1-2-9(8-10)14(16,17)18/h1-4,6,8,19H,5,7H2,(H,20,21)
InChIKeyOCXIXMUQMVXBEE-UHFFFAOYSA-N
MW348.78 g/mol
LogP4.50
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide

3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide (PubChem CID 56518742) has the molecular formula C14H12ClF3N2OS and a molecular weight of 348.78 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide
PubChem CID56518742
Molecular FormulaC14H12ClF3N2OS
Molecular Weight348.78 g/mol
Exact Mass348.03
IUPAC Name3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide
SMILESO=C(CCc1ccc(Cl)s1)NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12ClF3N2OS/c15-12-6-4-11(22-12)5-7-13(21)20-19-10-3-1-2-9(8-10)14(16,17)18/h1-4,6,8,19H,5,7H2,(H,20,21)
InChIKeyOCXIXMUQMVXBEE-UHFFFAOYSA-N
XLogP4.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 54.50
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-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 120604898
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 42966409
4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide
CID 55350664
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N'-[3-(trifluoromethyl)phenyl]propanehydrazide
CID 26289460
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N'-[3-(trifluoromethyl)phenyl]propanehydrazide
CID 51537955
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide
CID 42908981
2-(1-adamantyl)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]acetamide
CID 55560590
(E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
CID 56519511
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
1-(3-phenylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 17371957
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 8762528

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide (CID 56518742) is 3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide is O=C(CCc1ccc(Cl)s1)NNc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide?
The InChIKey is OCXIXMUQMVXBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2OS/c15-12-6-4-11(22-12)5-7-13(21)20-19-10-3-1-2-9(8-10)14(16,17)18/h1-4,6,8,19H,5,7H2,(H,20,21).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide?
3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide has a molecular weight of 348.78 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide is sourced from PubChem (CID 56518742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).