N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide

C21H23BrN2O3 — CID 24514957

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C21H23BrN2O3/c1-23(14-15-27-19-11-7-17(22)8-12-19)21(26)16-5-9-18(10-6-16)24-13-3-2-4-20(24)25/h5-12H,2-4,13-15H2,1H3
InChIKeyAZINKDRRDJVSMM-UHFFFAOYSA-N
MW431.33 g/mol
LogP4.12
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide

N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 24514957) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID24514957
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C21H23BrN2O3/c1-23(14-15-27-19-11-7-17(22)8-12-19)21(26)16-5-9-18(10-6-16)24-13-3-2-4-20(24)25/h5-12H,2-4,13-15H2,1H3
InChIKeyAZINKDRRDJVSMM-UHFFFAOYSA-N
XLogP4.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 31285313
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27822823
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26960398
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27447938
N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 24514948
N-methoxy-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 134040883
3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 34236405
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
CID 55654163
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 31285172
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 31206491
N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32644603

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide (CID 24514957) is N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide is CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is AZINKDRRDJVSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c1-23(14-15-27-19-11-7-17(22)8-12-19)21(26)16-5-9-18(10-6-16)24-13-3-2-4-20(24)25/h5-12H,2-4,13-15H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide?
N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 431.33 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 24514957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).