N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

C17H15FN2OS — CID 46342482

IUPACN-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)n1cccc1)Nc1cccc(F)c1
InChIInChI=1S/C17H15FN2OS/c18-13-5-3-6-14(11-13)19-17(21)12-15(16-7-4-10-22-16)20-8-1-2-9-20/h1-11,15H,12H2,(H,19,21)
InChIKeyWVFRDDRVGQEEFX-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.31
Rot. Bonds5

About N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (PubChem CID 46342482) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
PubChem CID46342482
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC NameN-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)n1cccc1)Nc1cccc(F)c1
InChIInChI=1S/C17H15FN2OS/c18-13-5-3-6-14(11-13)19-17(21)12-15(16-7-4-10-22-16)20-8-1-2-9-20/h1-11,15H,12H2,(H,19,21)
InChIKeyWVFRDDRVGQEEFX-UHFFFAOYSA-N
XLogP4.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708932
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708945
(3S)-N-(3,5-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708877
(3R)-3-(3-fluorophenyl)-N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709390
(3R)-N-(3,4-difluorophenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709455
(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708850
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
CID 9250544
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8847189
(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709401
[2-(3-fluoroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052012

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (CID 46342482) is N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is O=C(CC(c1cccs1)n1cccc1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The InChIKey is WVFRDDRVGQEEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c18-13-5-3-6-14(11-13)19-17(21)12-15(16-7-4-10-22-16)20-8-1-2-9-20/h1-11,15H,12H2,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46342482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).