3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide

C17H18Cl2N2OS — CID 40847528

IUPAC3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2OS/c18-14-4-3-12(9-15(14)19)17(22)20-10-16(13-5-8-23-11-13)21-6-1-2-7-21/h3-5,8-9,11,16H,1-2,6-7,10H2,(H,20,22)/t16-/m0/s1
InChIKeyURINTBWRYSKEDR-INIZCTEOSA-N
MW369.32 g/mol
LogP4.62
Rot. Bonds5

About 3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide

3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide (PubChem CID 40847528) has the molecular formula C17H18Cl2N2OS and a molecular weight of 369.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
PubChem CID40847528
Molecular FormulaC17H18Cl2N2OS
Molecular Weight369.32 g/mol
Exact Mass368.05
IUPAC Name3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2OS/c18-14-4-3-12(9-15(14)19)17(22)20-10-16(13-5-8-23-11-13)21-6-1-2-7-21/h3-5,8-9,11,16H,1-2,6-7,10H2,(H,20,22)/t16-/m0/s1
InChIKeyURINTBWRYSKEDR-INIZCTEOSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530
3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931704
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847568
3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931595
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide
CID 51446250
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dichlorobenzamide
CID 16931838
3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931298
4-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931378
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
3-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931514

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide (CID 40847528) is 3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide is O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
The InChIKey is URINTBWRYSKEDR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18Cl2N2OS/c18-14-4-3-12(9-15(14)19)17(22)20-10-16(13-5-8-23-11-13)21-6-1-2-7-21/h3-5,8-9,11,16H,1-2,6-7,10H2,(H,20,22)/t16-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide has a molecular weight of 369.32 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 40847528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).