N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride

C17H20ClFN2OS — CID 119600652

IUPACN-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H19FN2OS.ClH/c18-13-6-4-11(5-7-13)15-8-9-16(22-15)17(21)20-14-3-1-2-12(14)10-19;/h4-9,12,14H,1-3,10,19H2,(H,20,21);1H
InChIKeyLLCQXOAYWOYANA-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.83
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119600652) has the molecular formula C17H20ClFN2OS and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119600652
Molecular FormulaC17H20ClFN2OS
Molecular Weight354.88 g/mol
Exact Mass354.10
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H19FN2OS.ClH/c18-13-6-4-11(5-7-13)15-8-9-16(22-15)17(21)20-14-3-1-2-12(14)10-19;/h4-9,12,14H,1-3,10,19H2,(H,20,21);1H
InChIKeyLLCQXOAYWOYANA-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119600626
N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119609271
N-[2-(aminomethyl)cyclopentyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide
CID 119602212
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride
CID 119600817
N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119609795
N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119601035
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride (CID 119600652) is N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is LLCQXOAYWOYANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS.ClH/c18-13-6-4-11(5-7-13)15-8-9-16(22-15)17(21)20-14-3-1-2-12(14)10-19;/h4-9,12,14H,1-3,10,19H2,(H,20,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119600652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).