4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide

C17H14ClF3N2O4S — CID 55350664

IUPAC4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O4S/c18-14-6-5-13(28-14)12(24)4-7-15(25)22-23-16(26)9-27-11-3-1-2-10(8-11)17(19,20)21/h1-3,5-6,8H,4,7,9H2,(H,22,25)(H,23,26)
InChIKeyAQXMVJRRNGZPDI-UHFFFAOYSA-N
MW434.82 g/mol
LogP3.61
Rot. Bonds7

About 4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide

4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide (PubChem CID 55350664) has the molecular formula C17H14ClF3N2O4S and a molecular weight of 434.82 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide
PubChem CID55350664
Molecular FormulaC17H14ClF3N2O4S
Molecular Weight434.82 g/mol
Exact Mass434.03
IUPAC Name4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O4S/c18-14-6-5-13(28-14)12(24)4-7-15(25)22-23-16(26)9-27-11-3-1-2-10(8-11)17(19,20)21/h1-3,5-6,8H,4,7,9H2,(H,22,25)(H,23,26)
InChIKeyAQXMVJRRNGZPDI-UHFFFAOYSA-N
XLogP3.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.82
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 42966409
1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 60624529
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 1471533
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone
CID 115478142
(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
CID 26840117
2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide
CID 18228275
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide
CID 56518742
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide (CID 55350664) is 4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide is O=C(CCC(=O)c1ccc(Cl)s1)NNC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide?
The InChIKey is AQXMVJRRNGZPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O4S/c18-14-6-5-13(28-14)12(24)4-7-15(25)22-23-16(26)9-27-11-3-1-2-10(8-11)17(19,20)21/h1-3,5-6,8H,4,7,9H2,(H,22,25)(H,23,26).
What are the key properties of 4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide?
4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide has a molecular weight of 434.82 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide is sourced from PubChem (CID 55350664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).