3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide

C17H18F2N2OS — CID 16931595

IUPAC3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2OS/c18-14-4-3-12(9-15(14)19)17(22)20-10-16(13-5-8-23-11-13)21-6-1-2-7-21/h3-5,8-9,11,16H,1-2,6-7,10H2,(H,20,22)
InChIKeyFIAGFMBVSFLIKP-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.59
Rot. Bonds5

About 3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide

3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide (PubChem CID 16931595) has the molecular formula C17H18F2N2OS and a molecular weight of 336.41 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
PubChem CID16931595
Molecular FormulaC17H18F2N2OS
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2OS/c18-14-4-3-12(9-15(14)19)17(22)20-10-16(13-5-8-23-11-13)21-6-1-2-7-21/h3-5,8-9,11,16H,1-2,6-7,10H2,(H,20,22)
InChIKeyFIAGFMBVSFLIKP-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide
CID 51446250
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847568
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847528
3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide
CID 16931867
3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931298
4-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931378
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dichlorobenzamide
CID 16931838
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide (CID 16931595) is 3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide is O=C(NCC(c1ccsc1)N1CCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The InChIKey is FIAGFMBVSFLIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2OS/c18-14-4-3-12(9-15(14)19)17(22)20-10-16(13-5-8-23-11-13)21-6-1-2-7-21/h3-5,8-9,11,16H,1-2,6-7,10H2,(H,20,22).
What are the key properties of 3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide has a molecular weight of 336.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 16931595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).