N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide

C20H23BrN2O2 — CID 10001207

IUPACN-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23BrN2O2/c1-25-19-8-7-17(21)11-18(19)20(24)22-12-16-9-10-23(14-16)13-15-5-3-2-4-6-15/h2-8,11,16H,9-10,12-14H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyYBRBKCXISVCUJG-MRXNPFEDSA-N
MW403.32 g/mol
LogP3.71
Rot. Bonds6

About N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide

N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide (PubChem CID 10001207) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide
PubChem CID10001207
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC NameN-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23BrN2O2/c1-25-19-8-7-17(21)11-18(19)20(24)22-12-16-9-10-23(14-16)13-15-5-3-2-4-6-15/h2-8,11,16H,9-10,12-14H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyYBRBKCXISVCUJG-MRXNPFEDSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide?
The IUPAC name of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide (CID 10001207) is N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide.
What is the SMILES notation for N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide?
The canonical SMILES for N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide?
The InChIKey is YBRBKCXISVCUJG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-25-19-8-7-17(21)11-18(19)20(24)22-12-16-9-10-23(14-16)13-15-5-3-2-4-6-15/h2-8,11,16H,9-10,12-14H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide?
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide has a molecular weight of 403.32 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-5-bromo-2-methoxybenzamide is sourced from PubChem (CID 10001207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).