3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C12H8F4N2OS — CID 61228423

IUPAC3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H8F4N2OS/c13-8-2-1-6(5-7(8)12(14,15)16)18-11(19)10-9(17)3-4-20-10/h1-5H,17H2,(H,18,19)
InChIKeyKCUKPQBRJXWJQV-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.74
Rot. Bonds2

About 3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 61228423) has the molecular formula C12H8F4N2OS and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID61228423
Molecular FormulaC12H8F4N2OS
Molecular Weight304.27 g/mol
Exact Mass304.03
IUPAC Name3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H8F4N2OS/c13-8-2-1-6(5-7(8)12(14,15)16)18-11(19)10-9(17)3-4-20-10/h1-5H,17H2,(H,18,19)
InChIKeyKCUKPQBRJXWJQV-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
6-amino-2,2-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 168943128
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62159635
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81312479
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55765460
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 2546301
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide
CID 61092118
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 61228423) is 3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is Nc1ccsc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is KCUKPQBRJXWJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2OS/c13-8-2-1-6(5-7(8)12(14,15)16)18-11(19)10-9(17)3-4-20-10/h1-5H,17H2,(H,18,19).
What are the key properties of 3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 61228423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).