1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride

C17H26BrCl2N3O — CID 119860624

IUPAC1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC2CCN(c3ccc(Br)cc3)C2)CCCC1
InChIInChI=1S/C17H24BrN3O.2ClH/c18-14-3-5-15(6-4-14)21-10-7-13(12-21)11-20-16(22)17(19)8-1-2-9-17;;/h3-6,13H,1-2,7-12,19H2,(H,20,22);2*1H
InChIKeyZIEMAKIPKYRGCR-UHFFFAOYSA-N
MW439.23 g/mol
LogP3.51
Rot. Bonds4

About 1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119860624) has the molecular formula C17H26BrCl2N3O and a molecular weight of 439.23 g/mol. Its IUPAC name is 1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119860624
Molecular FormulaC17H26BrCl2N3O
Molecular Weight439.23 g/mol
Exact Mass437.06
IUPAC Name1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC2CCN(c3ccc(Br)cc3)C2)CCCC1
InChIInChI=1S/C17H24BrN3O.2ClH/c18-14-3-5-15(6-4-14)21-10-7-13(12-21)11-20-16(22)17(19)8-1-2-9-17;;/h3-6,13H,1-2,7-12,19H2,(H,20,22);2*1H
InChIKeyZIEMAKIPKYRGCR-UHFFFAOYSA-N
XLogP3.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.23
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119862649
1-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119898769
1-amino-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119871042
(2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 119860635
(2S)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119860636
N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860652
3-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119860620
2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 119860603
N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738660
1-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-3-cyclopentyl-2-methylguanidine
CID 110992841
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110908059
1-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-3-cyclopentyl-2-methylguanidine;hydroiodide
CID 110992840

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119860624) is 1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCC2CCN(c3ccc(Br)cc3)C2)CCCC1.
What is the InChIKey of 1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is ZIEMAKIPKYRGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O.2ClH/c18-14-3-5-15(6-4-14)21-10-7-13(12-21)11-20-16(22)17(19)8-1-2-9-17;;/h3-6,13H,1-2,7-12,19H2,(H,20,22);2*1H.
What are the key properties of 1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 439.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119860624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).