5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide

C14H11ClF3NO2S — CID 56765438

IUPAC5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClF3NO2S/c15-12-6-5-11(22-12)13(21)19-7-10(20)8-1-3-9(4-2-8)14(16,17)18/h1-6,10,20H,7H2,(H,19,21)
InChIKeyDWIANIQUTKDLNG-UHFFFAOYSA-N
MW349.76 g/mol
LogP3.88
Rot. Bonds4

About 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide

5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide (PubChem CID 56765438) has the molecular formula C14H11ClF3NO2S and a molecular weight of 349.76 g/mol. Its IUPAC name is 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
PubChem CID56765438
Molecular FormulaC14H11ClF3NO2S
Molecular Weight349.76 g/mol
Exact Mass349.02
IUPAC Name5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClF3NO2S/c15-12-6-5-11(22-12)13(21)19-7-10(20)8-1-3-9(4-2-8)14(16,17)18/h1-6,10,20H,7H2,(H,19,21)
InChIKeyDWIANIQUTKDLNG-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.76
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
2-chloro-6-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzamide
CID 52992615
N-[2-hydroxy-2-(thiophen-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52992625
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
CID 56764199
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-4-methylthiophene-2-carboxamide
CID 56765427
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
3-chloro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683855
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 71781687
2-Chloro-6-fluoro-N-[3-hydroxy-3-(thiophen-2-YL)propyl]benzamide
CID 71787817
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide
CID 71989474
2-chloro-4-fluoro-N-({5-[hydroxy(phenyl)methyl]thiophen-2-yl}methyl)benzamide
CID 73167904
N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl]-5-chloro-2-thenamide
CID 97428342

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide (CID 56765438) is 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide?
The InChIKey is DWIANIQUTKDLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2S/c15-12-6-5-11(22-12)13(21)19-7-10(20)8-1-3-9(4-2-8)14(16,17)18/h1-6,10,20H,7H2,(H,19,21).
What are the key properties of 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide has a molecular weight of 349.76 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 56765438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).