1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride

C18H28Cl2FN3O — CID 154884967

IUPAC1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC2CCN(Cc3ccccc3F)C2)CCCC1
InChIInChI=1S/C18H26FN3O.2ClH/c19-16-6-2-1-5-15(16)13-22-10-7-14(12-22)11-21-17(23)18(20)8-3-4-9-18;;/h1-2,5-6,14H,3-4,7-13,20H2,(H,21,23);2*1H
InChIKeyBTHZADGJKWCAKU-UHFFFAOYSA-N
MW392.35 g/mol
LogP2.88
Rot. Bonds5

About 1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 154884967) has the molecular formula C18H28Cl2FN3O and a molecular weight of 392.35 g/mol. Its IUPAC name is 1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID154884967
Molecular FormulaC18H28Cl2FN3O
Molecular Weight392.35 g/mol
Exact Mass391.16
IUPAC Name1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC2CCN(Cc3ccccc3F)C2)CCCC1
InChIInChI=1S/C18H26FN3O.2ClH/c19-16-6-2-1-5-15(16)13-22-10-7-14(12-22)11-21-17(23)18(20)8-3-4-9-18;;/h1-2,5-6,14H,3-4,7-13,20H2,(H,21,23);2*1H
InChIKeyBTHZADGJKWCAKU-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

Analyze 1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214307
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 56709536
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 75423564
N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95388374
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrate;dihydrochloride
CID 90647197
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
N-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95205845
1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119895679
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081574
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 60867022

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 154884967) is 1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCC2CCN(Cc3ccccc3F)C2)CCCC1.
What is the InChIKey of 1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is BTHZADGJKWCAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O.2ClH/c19-16-6-2-1-5-15(16)13-22-10-7-14(12-22)11-21-17(23)18(20)8-3-4-9-18;;/h1-2,5-6,14H,3-4,7-13,20H2,(H,21,23);2*1H.
What are the key properties of 1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-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 1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 154884967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).