3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide

C13H12F2N2OS — CID 79773779

IUPAC3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCCc2cccs2)c1F
InChIInChI=1S/C13H12F2N2OS/c14-9-3-4-10(16)12(15)11(9)13(18)17-6-5-8-2-1-7-19-8/h1-4,7H,5-6,16H2,(H,17,18)
InChIKeyCPMFJKSMJZUAKI-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.58
Rot. Bonds4

About 3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide

3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 79773779) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID79773779
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC Name3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCCc2cccs2)c1F
InChIInChI=1S/C13H12F2N2OS/c14-9-3-4-10(16)12(15)11(9)13(18)17-6-5-8-2-1-7-19-8/h1-4,7H,5-6,16H2,(H,17,18)
InChIKeyCPMFJKSMJZUAKI-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.58
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

2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61090030
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 62072619
2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
CID 83202374
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
5-fluoro-2-hydroxy-N-(2-thiophen-2-ylethyl)benzamide
CID 79531846
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloro-6-fluorobenzoate
CID 8863019
3-amino-2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 79773667
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide (CID 79773779) is 3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide is Nc1ccc(F)c(C(=O)NCCc2cccs2)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is CPMFJKSMJZUAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c14-9-3-4-10(16)12(15)11(9)13(18)17-6-5-8-2-1-7-19-8/h1-4,7H,5-6,16H2,(H,17,18).
What are the key properties of 3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide?
3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 282.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 79773779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).