7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide

C13H8ClF3N4OS — CID 58271176

IUPAC7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide
SMILESO=C(NCc1cccs1)n1nnc2cc(C(F)(F)F)cc(Cl)c21
InChIInChI=1S/C13H8ClF3N4OS/c14-9-4-7(13(15,16)17)5-10-11(9)21(20-19-10)12(22)18-6-8-2-1-3-23-8/h1-5H,6H2,(H,18,22)
InChIKeyAMGDVLSLLFMNHD-UHFFFAOYSA-N
MW360.75 g/mol
LogP3.92
Rot. Bonds2

About 7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide

7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide (PubChem CID 58271176) has the molecular formula C13H8ClF3N4OS and a molecular weight of 360.75 g/mol. Its IUPAC name is 7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide
PubChem CID58271176
Molecular FormulaC13H8ClF3N4OS
Molecular Weight360.75 g/mol
Exact Mass360.01
IUPAC Name7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide
SMILESO=C(NCc1cccs1)n1nnc2cc(C(F)(F)F)cc(Cl)c21
InChIInChI=1S/C13H8ClF3N4OS/c14-9-4-7(13(15,16)17)5-10-11(9)21(20-19-10)12(22)18-6-8-2-1-3-23-8/h1-5H,6H2,(H,18,22)
InChIKeyAMGDVLSLLFMNHD-UHFFFAOYSA-N
XLogP3.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2484290
5-phenoxy-N-(thiophen-2-ylmethyl)benzotriazole-1-carboxamide
CID 58271106
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 9113454
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2110784
[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(thiophen-2-ylmethylamino)methylidene]-(thiophen-2-ylmethyl)azanium
CID 6346328
2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide
CID 55446616
N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 57303116
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 4188468
4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4772994
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
CID 5035064

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide?
The IUPAC name of 7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide (CID 58271176) is 7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide.
What is the SMILES notation for 7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide?
The canonical SMILES for 7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide is O=C(NCc1cccs1)n1nnc2cc(C(F)(F)F)cc(Cl)c21.
What is the InChIKey of 7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide?
The InChIKey is AMGDVLSLLFMNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4OS/c14-9-4-7(13(15,16)17)5-10-11(9)21(20-19-10)12(22)18-6-8-2-1-3-23-8/h1-5H,6H2,(H,18,22).
What are the key properties of 7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide?
7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide has a molecular weight of 360.75 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)benzotriazole-1-carboxamide is sourced from PubChem (CID 58271176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).