3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide

C13H12FNOS — CID 7742328

IUPAC3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(F)c1)c1cccs1
InChIInChI=1S/C13H12FNOS/c1-9(12-6-3-7-17-12)15-13(16)10-4-2-5-11(14)8-10/h2-9H,1H3,(H,15,16)/t9-/m0/s1
InChIKeyOSZCXRQWLVBSFR-VIFPVBQESA-N
MW249.31 g/mol
LogP3.38
Rot. Bonds3

About 3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide

3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide (PubChem CID 7742328) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
PubChem CID7742328
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(F)c1)c1cccs1
InChIInChI=1S/C13H12FNOS/c1-9(12-6-3-7-17-12)15-13(16)10-4-2-5-11(14)8-10/h2-9H,1H3,(H,15,16)/t9-/m0/s1
InChIKeyOSZCXRQWLVBSFR-VIFPVBQESA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408549
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63186296
3-(methoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 31110060
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
2-[1-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380008
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide (CID 7742328) is 3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide is C[C@H](NC(=O)c1cccc(F)c1)c1cccs1.
What is the InChIKey of 3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is OSZCXRQWLVBSFR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12FNOS/c1-9(12-6-3-7-17-12)15-13(16)10-4-2-5-11(14)8-10/h2-9H,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 7742328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).