4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride

C13H19Cl3N2OS — CID 119514202

IUPAC4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
SMILESCl.O=C(CCCc1cc(Cl)sc1Cl)NCC1CCCN1
InChIInChI=1S/C13H18Cl2N2OS.ClH/c14-11-7-9(13(15)19-11)3-1-5-12(18)17-8-10-4-2-6-16-10;/h7,10,16H,1-6,8H2,(H,17,18);1H
InChIKeyROMDGYJQQSJWPE-UHFFFAOYSA-N
MW357.73 g/mol
LogP3.67
Rot. Bonds6

About 4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride

4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride (PubChem CID 119514202) has the molecular formula C13H19Cl3N2OS and a molecular weight of 357.73 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
PubChem CID119514202
Molecular FormulaC13H19Cl3N2OS
Molecular Weight357.73 g/mol
Exact Mass356.03
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
SMILESCl.O=C(CCCc1cc(Cl)sc1Cl)NCC1CCCN1
InChIInChI=1S/C13H18Cl2N2OS.ClH/c14-11-7-9(13(15)19-11)3-1-5-12(18)17-8-10-4-2-6-16-10;/h7,10,16H,1-6,8H2,(H,17,18);1H
InChIKeyROMDGYJQQSJWPE-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.73
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514853
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 103806352
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514194
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119513434
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514717
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513358
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride (CID 119514202) is 4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride is Cl.O=C(CCCc1cc(Cl)sc1Cl)NCC1CCCN1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The InChIKey is ROMDGYJQQSJWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2OS.ClH/c14-11-7-9(13(15)19-11)3-1-5-12(18)17-8-10-4-2-6-16-10;/h7,10,16H,1-6,8H2,(H,17,18);1H.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride has a molecular weight of 357.73 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119514202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).