3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide

C13H16ClF3N2OS — CID 94824818

IUPAC3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
SMILESO=C(CCc1ccc(Cl)s1)N[C@@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H16ClF3N2OS/c14-11-3-1-10(21-11)2-4-12(20)18-9-5-6-19(7-9)8-13(15,16)17/h1,3,9H,2,4-8H2,(H,18,20)/t9-/m1/s1
InChIKeyWCKSINSMDQYPRJ-SECBINFHSA-N
MW340.80 g/mol
LogP3.09
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide

3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide (PubChem CID 94824818) has the molecular formula C13H16ClF3N2OS and a molecular weight of 340.80 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
PubChem CID94824818
Molecular FormulaC13H16ClF3N2OS
Molecular Weight340.80 g/mol
Exact Mass340.06
IUPAC Name3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
SMILESO=C(CCc1ccc(Cl)s1)N[C@@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H16ClF3N2OS/c14-11-3-1-10(21-11)2-4-12(20)18-9-5-6-19(7-9)8-13(15,16)17/h1,3,9H,2,4-8H2,(H,18,20)/t9-/m1/s1
InChIKeyWCKSINSMDQYPRJ-SECBINFHSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026
N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide
CID 119475922
1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(5-chlorothiophen-2-yl)propanamide
CID 100838666
2-(4-cyanoanilino)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 129381583
N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 46518836
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 30963137
3-(5-chlorothiophen-2-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propanamide
CID 60559749
[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl] 3-(5-chlorothiophen-2-yl)propanoate
CID 75404978
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 95932826
2-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111898848

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide (CID 94824818) is 3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide is O=C(CCc1ccc(Cl)s1)N[C@@H]1CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide?
The InChIKey is WCKSINSMDQYPRJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H16ClF3N2OS/c14-11-3-1-10(21-11)2-4-12(20)18-9-5-6-19(7-9)8-13(15,16)17/h1,3,9H,2,4-8H2,(H,18,20)/t9-/m1/s1.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide?
3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide has a molecular weight of 340.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 94824818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).