4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide

C13H11F3N2OS — CID 63247780

IUPAC4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)NCc2ccsc2)cc1C(F)(F)F
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)10-5-9(1-2-11(10)17)12(19)18-6-8-3-4-20-7-8/h1-5,7H,6,17H2,(H,18,19)
InChIKeyIBXQGTGOKWKIPW-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.28
Rot. Bonds3

About 4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide

4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 63247780) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID63247780
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)NCc2ccsc2)cc1C(F)(F)F
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)10-5-9(1-2-11(10)17)12(19)18-6-8-3-4-20-7-8/h1-5,7H,6,17H2,(H,18,19)
InChIKeyIBXQGTGOKWKIPW-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62160253
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62153422
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 55175065
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63244383
4-amino-N-(4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 63004218
2-bromo-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 103752408
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 91647846
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
3-chloro-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 82781557

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide (CID 63247780) is 4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide is Nc1ccc(C(=O)NCc2ccsc2)cc1C(F)(F)F.
What is the InChIKey of 4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is IBXQGTGOKWKIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c14-13(15,16)10-5-9(1-2-11(10)17)12(19)18-6-8-3-4-20-7-8/h1-5,7H,6,17H2,(H,18,19).
What are the key properties of 4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide?
4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 300.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 63247780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).