N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide

C15H21BrN2O2 — CID 63142369

IUPACN-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(Br)ccc2OC)CCNC1
InChIInChI=1S/C15H21BrN2O2/c1-3-6-15(7-8-17-10-15)14(19)18-12-9-11(16)4-5-13(12)20-2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,19)
InChIKeyLALLCYARWYBILC-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.18
Rot. Bonds5

About N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide

N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63142369) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63142369
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(Br)ccc2OC)CCNC1
InChIInChI=1S/C15H21BrN2O2/c1-3-6-15(7-8-17-10-15)14(19)18-12-9-11(16)4-5-13(12)20-2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,19)
InChIKeyLALLCYARWYBILC-UHFFFAOYSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide 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-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63142327
N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63141186
N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139955
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(5-bromo-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185194
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
1-[(5-bromo-2-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096794
N-(5-bromo-2-methoxyphenyl)-1-carbamothioylcyclopropane-1-carboxamide
CID 80588952

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide (CID 63142369) is N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2cc(Br)ccc2OC)CCNC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is LALLCYARWYBILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-6-15(7-8-17-10-15)14(19)18-12-9-11(16)4-5-13(12)20-2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63142369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).