N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide

C14H19BrN2O2 — CID 115160313

IUPACN-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide
SMILESCOc1ccc(N(C)C(=O)CC2CCNC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-17(14(18)7-10-5-6-16-9-10)11-3-4-13(19-2)12(15)8-11/h3-4,8,10,16H,5-7,9H2,1-2H3
InChIKeyHJROCUHJUJCEKU-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.42
Rot. Bonds4

About N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide

N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide (PubChem CID 115160313) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide
PubChem CID115160313
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide
SMILESCOc1ccc(N(C)C(=O)CC2CCNC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-17(14(18)7-10-5-6-16-9-10)11-3-4-13(19-2)12(15)8-11/h3-4,8,10,16H,5-7,9H2,1-2H3
InChIKeyHJROCUHJUJCEKU-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116917050
N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160309
N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160298
4-(3-bromo-4-methoxy-N-methylanilino)-4-oxobutanoic acid
CID 115163676
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160586
methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate
CID 115190454
1-(3-bromo-4-methoxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564329
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
3-bromo-4-methoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297854
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrrolidine
CID 79403216
2-(azetidin-3-yl)-N-(2-methoxyphenyl)-N-methylacetamide
CID 64609788
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116917076

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide (CID 115160313) is N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide is COc1ccc(N(C)C(=O)CC2CCNC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide?
The InChIKey is HJROCUHJUJCEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(14(18)7-10-5-6-16-9-10)11-3-4-13(19-2)12(15)8-11/h3-4,8,10,16H,5-7,9H2,1-2H3.
What are the key properties of N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide?
N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide has a molecular weight of 327.22 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 115160313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).