N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

C18H28Cl2FN3O — CID 119602179

IUPACN-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCC1NC(=O)C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C18H26FN3O.2ClH/c19-15-8-6-13(7-9-15)12-22-10-2-5-17(22)18(23)21-16-4-1-3-14(16)11-20;;/h6-9,14,16-17H,1-5,10-12,20H2,(H,21,23);2*1H
InChIKeyWFOYVKJEGYIVHX-UHFFFAOYSA-N
MW392.35 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119602179) has the molecular formula C18H28Cl2FN3O and a molecular weight of 392.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119602179
Molecular FormulaC18H28Cl2FN3O
Molecular Weight392.35 g/mol
Exact Mass391.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCC1NC(=O)C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C18H26FN3O.2ClH/c19-15-8-6-13(7-9-15)12-22-10-2-5-17(22)18(23)21-16-4-1-3-14(16)11-20;;/h6-9,14,16-17H,1-5,10-12,20H2,(H,21,23);2*1H
InChIKeyWFOYVKJEGYIVHX-UHFFFAOYSA-N
XLogP2.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119614467
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
1-[(4-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 111593130
3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795
(2R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 95786845
N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 119548242
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119611971
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanone;hydrochloride
CID 120741964
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120826744
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119602840

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119602179) is N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.NCC1CCCC1NC(=O)C1CCCN1Cc1ccc(F)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is WFOYVKJEGYIVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O.2ClH/c19-15-8-6-13(7-9-15)12-22-10-2-5-17(22)18(23)21-16-4-1-3-14(16)11-20;;/h6-9,14,16-17H,1-5,10-12,20H2,(H,21,23);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 392.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119602179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).