3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide

C13H10ClF3N2OS — CID 106215582

IUPAC3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NC2(C(F)(F)F)CC2)sc2cc(Cl)ccc12
InChIInChI=1S/C13H10ClF3N2OS/c14-6-1-2-7-8(5-6)21-10(9(7)18)11(20)19-12(3-4-12)13(15,16)17/h1-2,5H,3-4,18H2,(H,19,20)
InChIKeyLDABZXPKFOPPTJ-UHFFFAOYSA-N
MW334.75 g/mol
LogP3.96
Rot. Bonds2

About 3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide

3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide (PubChem CID 106215582) has the molecular formula C13H10ClF3N2OS and a molecular weight of 334.75 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
PubChem CID106215582
Molecular FormulaC13H10ClF3N2OS
Molecular Weight334.75 g/mol
Exact Mass334.02
IUPAC Name3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NC2(C(F)(F)F)CC2)sc2cc(Cl)ccc12
InChIInChI=1S/C13H10ClF3N2OS/c14-6-1-2-7-8(5-6)21-10(9(7)18)11(20)19-12(3-4-12)13(15,16)17/h1-2,5H,3-4,18H2,(H,19,20)
InChIKeyLDABZXPKFOPPTJ-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-(4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 769977
3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 841964
3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide
CID 1093481
3,6-dichloro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 2168480
3,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3118314
5-(4-Chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide
CID 2807844
3,6-dichloro-N-[2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 5217063
3-amino-6-chloro-N-(4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 65625908
3-amino-5-chloro-N-(4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 65625909
3-amino-N-(2-chlorophenyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 65626315
3-amino-N-(3,3,3-trifluoropropyl)-1-benzothiophene-2-carboxamide
CID 65626866
3-amino-4-chloro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 65627112

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide (CID 106215582) is 3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide is Nc1c(C(=O)NC2(C(F)(F)F)CC2)sc2cc(Cl)ccc12.
What is the InChIKey of 3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide?
The InChIKey is LDABZXPKFOPPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2OS/c14-6-1-2-7-8(5-6)21-10(9(7)18)11(20)19-12(3-4-12)13(15,16)17/h1-2,5H,3-4,18H2,(H,19,20).
What are the key properties of 3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide?
3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide has a molecular weight of 334.75 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106215582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).