N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide

C12H13BrCl2N2O — CID 63714914

IUPACN-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H13BrCl2N2O/c1-6-4-16-5-8(6)12(18)17-11-9(14)2-7(13)3-10(11)15/h2-3,6,8,16H,4-5H2,1H3,(H,17,18)
InChIKeyCFWZEPFBFSODID-UHFFFAOYSA-N
MW352.06 g/mol
LogP3.55
Rot. Bonds2

About N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide

N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 63714914) has the molecular formula C12H13BrCl2N2O and a molecular weight of 352.06 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID63714914
Molecular FormulaC12H13BrCl2N2O
Molecular Weight352.06 g/mol
Exact Mass349.96
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H13BrCl2N2O/c1-6-4-16-5-8(6)12(18)17-11-9(14)2-7(13)3-10(11)15/h2-3,6,8,16H,4-5H2,1H3,(H,17,18)
InChIKeyCFWZEPFBFSODID-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.06
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide (CID 63714914) is N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is CFWZEPFBFSODID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrCl2N2O/c1-6-4-16-5-8(6)12(18)17-11-9(14)2-7(13)3-10(11)15/h2-3,6,8,16H,4-5H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 352.06 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63714914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).