N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C14H9ClF3NO2S — CID 67327147

IUPACN-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C14H9ClF3NO2S/c15-9-3-1-8(2-4-9)7-19-13(21)11-6-5-10(22-11)12(20)14(16,17)18/h1-6H,7H2,(H,19,21)
InChIKeyZABRBENDFCHVJM-UHFFFAOYSA-N
MW347.75 g/mol
LogP4.08
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67327147) has the molecular formula C14H9ClF3NO2S and a molecular weight of 347.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67327147
Molecular FormulaC14H9ClF3NO2S
Molecular Weight347.75 g/mol
Exact Mass347.00
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C14H9ClF3NO2S/c15-9-3-1-8(2-4-9)7-19-13(21)11-6-5-10(22-11)12(20)14(16,17)18/h1-6H,7H2,(H,19,21)
InChIKeyZABRBENDFCHVJM-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3c
CID 25023797
Thiophene derivative, 3e
CID 25023798
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67327147) is N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is ZABRBENDFCHVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2S/c15-9-3-1-8(2-4-9)7-19-13(21)11-6-5-10(22-11)12(20)14(16,17)18/h1-6H,7H2,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 347.75 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67327147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).