N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride

C18H22ClFN2OS — CID 119568561

IUPACN-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NC2(CN)CCCC2)cc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C18H21FN2OS.ClH/c1-12-15(13-4-6-14(19)7-5-13)10-16(23-12)17(22)21-18(11-20)8-2-3-9-18;/h4-7,10H,2-3,8-9,11,20H2,1H3,(H,21,22);1H
InChIKeyKWCSWGOGDSHIRW-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.29
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride (PubChem CID 119568561) has the molecular formula C18H22ClFN2OS and a molecular weight of 368.91 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride
PubChem CID119568561
Molecular FormulaC18H22ClFN2OS
Molecular Weight368.91 g/mol
Exact Mass368.11
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NC2(CN)CCCC2)cc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C18H21FN2OS.ClH/c1-12-15(13-4-6-14(19)7-5-13)10-16(23-12)17(22)21-18(11-20)8-2-3-9-18;/h4-7,10H,2-3,8-9,11,20H2,1H3,(H,21,22);1H
InChIKeyKWCSWGOGDSHIRW-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 119617905
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119566431
N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 119567729
4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454424
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124696499
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride (CID 119568561) is N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride is Cc1sc(C(=O)NC2(CN)CCCC2)cc1-c1ccc(F)cc1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride?
The InChIKey is KWCSWGOGDSHIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS.ClH/c1-12-15(13-4-6-14(19)7-5-13)10-16(23-12)17(22)21-18(11-20)8-2-3-9-18;/h4-7,10H,2-3,8-9,11,20H2,1H3,(H,21,22);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119568561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).