(4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C15H15ClN2OS — CID 61109638

IUPAC(4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCCC2c2ccsc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2OS/c16-13-8-11(17)3-4-12(13)15(19)18-6-1-2-14(18)10-5-7-20-9-10/h3-5,7-9,14H,1-2,6,17H2
InChIKeyJDPDJAWJPUTNSI-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.96
Rot. Bonds2

About (4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

(4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 61109638) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID61109638
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCCC2c2ccsc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2OS/c16-13-8-11(17)3-4-12(13)15(19)18-6-1-2-14(18)10-5-7-20-9-10/h3-5,7-9,14H,1-2,6,17H2
InChIKeyJDPDJAWJPUTNSI-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
(4-amino-1-cyclopropylpyrrol-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 61110583
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
(3-chloro-4,5-dimethoxyphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714352
[2-oxo-2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate
CID 71888055
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
(3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 106544997
3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 94026029

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 61109638) is (4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is Nc1ccc(C(=O)N2CCCC2c2ccsc2)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is JDPDJAWJPUTNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-13-8-11(17)3-4-12(13)15(19)18-6-1-2-14(18)10-5-7-20-9-10/h3-5,7-9,14H,1-2,6,17H2.
What are the key properties of (4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
(4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 306.82 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61109638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).