2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide

C22H27BrN2O2 — CID 112845969

IUPAC2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
SMILESCC(CNC(=O)C(Oc1ccccc1Br)c1ccccc1)CN1CCCC1
InChIInChI=1S/C22H27BrN2O2/c1-17(16-25-13-7-8-14-25)15-24-22(26)21(18-9-3-2-4-10-18)27-20-12-6-5-11-19(20)23/h2-6,9-12,17,21H,7-8,13-16H2,1H3,(H,24,26)
InChIKeyUTSDBJQBHGUOFB-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.42
Rot. Bonds8

About 2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide

2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide (PubChem CID 112845969) has the molecular formula C22H27BrN2O2 and a molecular weight of 431.37 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
PubChem CID112845969
Molecular FormulaC22H27BrN2O2
Molecular Weight431.37 g/mol
Exact Mass430.13
IUPAC Name2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
SMILESCC(CNC(=O)C(Oc1ccccc1Br)c1ccccc1)CN1CCCC1
InChIInChI=1S/C22H27BrN2O2/c1-17(16-25-13-7-8-14-25)15-24-22(26)21(18-9-3-2-4-10-18)27-20-12-6-5-11-19(20)23/h2-6,9-12,17,21H,7-8,13-16H2,1H3,(H,24,26)
InChIKeyUTSDBJQBHGUOFB-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 60532999
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 106591406
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide
CID 87036337
2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 119452268
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 61061664
N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
CID 119997803
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
2-[3-(hydroxymethyl)phenoxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 109388906
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 62992796
3-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 55150022
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
CID 86823532

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide (CID 112845969) is 2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide is CC(CNC(=O)C(Oc1ccccc1Br)c1ccccc1)CN1CCCC1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide?
The InChIKey is UTSDBJQBHGUOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O2/c1-17(16-25-13-7-8-14-25)15-24-22(26)21(18-9-3-2-4-10-18)27-20-12-6-5-11-19(20)23/h2-6,9-12,17,21H,7-8,13-16H2,1H3,(H,24,26).
What are the key properties of 2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide?
2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide has a molecular weight of 431.37 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide is sourced from PubChem (CID 112845969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).