N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride

C15H22BrCl2N3O — CID 119884405

IUPACN-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(c2ccccc2Br)C1)C1CCCN1
InChIInChI=1S/C15H20BrN3O.2ClH/c16-12-4-1-2-6-14(12)19-9-7-11(10-19)18-15(20)13-5-3-8-17-13;;/h1-2,4,6,11,13,17H,3,5,7-10H2,(H,18,20);2*1H
InChIKeyTUAGEBZNQMEJKP-UHFFFAOYSA-N
MW411.17 g/mol
LogP2.74
Rot. Bonds3

About N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride

N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119884405) has the molecular formula C15H22BrCl2N3O and a molecular weight of 411.17 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119884405
Molecular FormulaC15H22BrCl2N3O
Molecular Weight411.17 g/mol
Exact Mass409.03
IUPAC NameN-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(c2ccccc2Br)C1)C1CCCN1
InChIInChI=1S/C15H20BrN3O.2ClH/c16-12-4-1-2-6-14(12)19-9-7-11(10-19)18-15(20)13-5-3-8-17-13;;/h1-2,4,6,11,13,17H,3,5,7-10H2,(H,18,20);2*1H
InChIKeyTUAGEBZNQMEJKP-UHFFFAOYSA-N
XLogP2.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.17
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119884413
trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 124700001
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
N-[1-(4-bromo-2-cyanophenyl)pyrrolidin-3-yl]azetidine-2-carboxamide
CID 75598412
N-[1-[2-cyano-4-(4-fluorophenyl)phenyl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 77219462
3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
CID 120503919
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373
(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119864828
N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 95620420
(2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride
CID 119857927
N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119321878
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119884408

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119884405) is N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN(c2ccccc2Br)C1)C1CCCN1.
What is the InChIKey of N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is TUAGEBZNQMEJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O.2ClH/c16-12-4-1-2-6-14(12)19-9-7-11(10-19)18-15(20)13-5-3-8-17-13;;/h1-2,4,6,11,13,17H,3,5,7-10H2,(H,18,20);2*1H.
What are the key properties of N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 411.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119884405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).