3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide

C15H16F2N2OS — CID 79758784

IUPAC3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1c(F)ccc(N)c1F)c1cccs1
InChIInChI=1S/C15H16F2N2OS/c1-2-4-11(12-5-3-8-21-12)19-15(20)13-9(16)6-7-10(18)14(13)17/h3,5-8,11H,2,4,18H2,1H3,(H,19,20)
InChIKeyATXJZTVPFGAUFY-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.88
Rot. Bonds5

About 3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide

3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide (PubChem CID 79758784) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide
PubChem CID79758784
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1c(F)ccc(N)c1F)c1cccs1
InChIInChI=1S/C15H16F2N2OS/c1-2-4-11(12-5-3-8-21-12)19-15(20)13-9(16)6-7-10(18)14(13)17/h3,5-8,11H,2,4,18H2,1H3,(H,19,20)
InChIKeyATXJZTVPFGAUFY-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-hydroxy-N-(1-thiophen-2-ylbutyl)benzamide
CID 104917044
2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide
CID 62513846
3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide
CID 79760394
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide
CID 62161925
4-amino-1-ethyl-N-(1-thiophen-2-ylbutyl)pyrazole-5-carboxamide
CID 65358853
3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 107861743
2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide
CID 61381188
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide (CID 79758784) is 3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide is CCCC(NC(=O)c1c(F)ccc(N)c1F)c1cccs1.
What is the InChIKey of 3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide?
The InChIKey is ATXJZTVPFGAUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c1-2-4-11(12-5-3-8-21-12)19-15(20)13-9(16)6-7-10(18)14(13)17/h3,5-8,11H,2,4,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide?
3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide has a molecular weight of 310.37 g/mol, XLogP of 3.88, 5 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-(1-thiophen-2-ylbutyl)benzamide is sourced from PubChem (CID 79758784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).