4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

C16H18ClFN2OS — CID 119454424

IUPAC4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NC2CCNC2)cc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C16H17FN2OS.ClH/c1-10-14(11-2-4-12(17)5-3-11)8-15(21-10)16(20)19-13-6-7-18-9-13;/h2-5,8,13,18H,6-7,9H2,1H3,(H,19,20);1H
InChIKeyFNDHXAXGVBTCHN-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.38
Rot. Bonds3

About 4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (PubChem CID 119454424) has the molecular formula C16H18ClFN2OS and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
PubChem CID119454424
Molecular FormulaC16H18ClFN2OS
Molecular Weight340.85 g/mol
Exact Mass340.08
IUPAC Name4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NC2CCNC2)cc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C16H17FN2OS.ClH/c1-10-14(11-2-4-12(17)5-3-11)8-15(21-10)16(20)19-13-6-7-18-9-13;/h2-5,8,13,18H,6-7,9H2,1H3,(H,19,20);1H
InChIKeyFNDHXAXGVBTCHN-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-5-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119559585
4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120643297
5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119452265
4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119444644
4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119453092
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone
CID 119403968
N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 119617905
N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119474300
4-(4-methoxyphenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119533300
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide
CID 104982451
N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119568561

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (CID 119454424) is 4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is Cc1sc(C(=O)NC2CCNC2)cc1-c1ccc(F)cc1.Cl.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The InChIKey is FNDHXAXGVBTCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS.ClH/c1-10-14(11-2-4-12(17)5-3-11)8-15(21-10)16(20)19-13-6-7-18-9-13;/h2-5,8,13,18H,6-7,9H2,1H3,(H,19,20);1H.
What are the key properties of 4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119454424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).