[2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

C15H14ClNOS — CID 42953211

IUPAC[2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNOS/c16-12-7-5-11(6-8-12)13-3-1-9-17(13)15(18)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2
InChIKeyXQAMRQOXUXJKNM-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.38
Rot. Bonds2

About [2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

[2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 42953211) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is [2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID42953211
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name[2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNOS/c16-12-7-5-11(6-8-12)13-3-1-9-17(13)15(18)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2
InChIKeyXQAMRQOXUXJKNM-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 4035024
3-[Benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231948
3-[Benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231951
N-(4-chlorobenzyl)-3-methylthiophene-2-carboxamide
CID 1225261
N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 844899
N-benzyl-N-(propan-2-yl)thiophene-2-carboxamide
CID 668925

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 42953211) is [2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is XQAMRQOXUXJKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-12-7-5-11(6-8-12)13-3-1-9-17(13)15(18)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2.
What are the key properties of [2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 291.80 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42953211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).