N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide

C12H14Br2N2O — CID 107599756

IUPACN-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C12H14Br2N2O/c1-7-8(5-6-15-7)12(17)16-11-9(13)3-2-4-10(11)14/h2-4,7-8,15H,5-6H2,1H3,(H,16,17)
InChIKeyDAODDPVMCSFPAO-UHFFFAOYSA-N
MW362.07 g/mol
LogP3.15
Rot. Bonds2

About N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide

N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 107599756) has the molecular formula C12H14Br2N2O and a molecular weight of 362.07 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID107599756
Molecular FormulaC12H14Br2N2O
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC NameN-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C12H14Br2N2O/c1-7-8(5-6-15-7)12(17)16-11-9(13)3-2-4-10(11)14/h2-4,7-8,15H,5-6H2,1H3,(H,16,17)
InChIKeyDAODDPVMCSFPAO-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide (CID 107599756) is N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is DAODDPVMCSFPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O/c1-7-8(5-6-15-7)12(17)16-11-9(13)3-2-4-10(11)14/h2-4,7-8,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide?
N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 362.07 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 107599756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).