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

C13H17BrN2O2 — CID 63142327

IUPACN-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1(C)CCNC1
InChIInChI=1S/C13H17BrN2O2/c1-13(5-6-15-8-13)12(17)16-10-7-9(14)3-4-11(10)18-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeySREJDRRMVFUQBH-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.40
Rot. Bonds3

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

N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63142327) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63142327
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1(C)CCNC1
InChIInChI=1S/C13H17BrN2O2/c1-13(5-6-15-8-13)12(17)16-10-7-9(14)3-4-11(10)18-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeySREJDRRMVFUQBH-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63142369
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
1-[(5-bromo-2-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096794
N-(5-bromo-2-methoxyphenyl)-1-carbamothioylcyclopropane-1-carboxamide
CID 80588952
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
N-(5-bromo-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185194
N-(4-fluoro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 55166819
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
CID 81291548

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide (CID 63142327) is N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide is COc1ccc(Br)cc1NC(=O)C1(C)CCNC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is SREJDRRMVFUQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-13(5-6-15-8-13)12(17)16-10-7-9(14)3-4-11(10)18-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide?
N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 2.40, 3 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-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63142327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).