2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

C16H17ClN2OS — CID 51199463

IUPAC2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CNc1ccccc1Cl)N1CCCC1c1cccs1
InChIInChI=1S/C16H17ClN2OS/c17-12-5-1-2-6-13(12)18-11-16(20)19-9-3-7-14(19)15-8-4-10-21-15/h1-2,4-6,8,10,14,18H,3,7,9,11H2
InChIKeyVOGCOAWTPWBLDP-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.18
Rot. Bonds4

About 2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 51199463) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
PubChem CID51199463
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CNc1ccccc1Cl)N1CCCC1c1cccs1
InChIInChI=1S/C16H17ClN2OS/c17-12-5-1-2-6-13(12)18-11-16(20)19-9-3-7-14(19)15-8-4-10-21-15/h1-2,4-6,8,10,14,18H,3,7,9,11H2
InChIKeyVOGCOAWTPWBLDP-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 78807944
2-(5-chloro-2,4-dimethoxyanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 17423018
2-(3-chloro-4-fluoroanilino)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 26508346
5-chloro-N-methyl-2-[[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]amino]benzamide
CID 94630105
N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide
CID 86983782
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94058448
2-(2-methyl-3-nitroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51199558
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(2-chlorophenoxy)acetate
CID 55371401
2-(3,5-difluoro-4-methoxyanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 55918213
2-[(2-methylpropan-2-yl)oxy]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 112604716
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933
3-chloro-2,2-dimethyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 63679619

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (CID 51199463) is 2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is O=C(CNc1ccccc1Cl)N1CCCC1c1cccs1.
What is the InChIKey of 2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is VOGCOAWTPWBLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-12-5-1-2-6-13(12)18-11-16(20)19-9-3-7-14(19)15-8-4-10-21-15/h1-2,4-6,8,10,14,18H,3,7,9,11H2.
What are the key properties of 2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 320.85 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 51199463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).