2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide

C21H25BrN2O2 — CID 112834233

IUPAC2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide
SMILESCN1CCC(N(C)C(=O)C(Oc2ccc(Br)cc2)c2ccccc2)CC1
InChIInChI=1S/C21H25BrN2O2/c1-23-14-12-18(13-15-23)24(2)21(25)20(16-6-4-3-5-7-16)26-19-10-8-17(22)9-11-19/h3-11,18,20H,12-15H2,1-2H3
InChIKeyFQQRPUJGROEBIL-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.12
Rot. Bonds5

About 2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide

2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide (PubChem CID 112834233) has the molecular formula C21H25BrN2O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide
PubChem CID112834233
Molecular FormulaC21H25BrN2O2
Molecular Weight417.35 g/mol
Exact Mass416.11
IUPAC Name2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide
SMILESCN1CCC(N(C)C(=O)C(Oc2ccc(Br)cc2)c2ccccc2)CC1
InChIInChI=1S/C21H25BrN2O2/c1-23-14-12-18(13-15-23)24(2)21(25)20(16-6-4-3-5-7-16)26-19-10-8-17(22)9-11-19/h3-11,18,20H,12-15H2,1-2H3
InChIKeyFQQRPUJGROEBIL-UHFFFAOYSA-N
XLogP4.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119551631
[4-[2-(dimethylamino)-2-oxo-1-phenylethoxy]phenoxy]boronic acid
CID 150984918
2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112811335
N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide
CID 4170750
2-amino-N-cyclopentyl-N-methyl-2-phenylacetamide
CID 43267220
(2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
CID 94363922
(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 25293793
(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27232899
N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
CID 119613614
2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 132669905
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-phenylacetamide
CID 60953001
2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid
CID 67078978

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide (CID 112834233) is 2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide is CN1CCC(N(C)C(=O)C(Oc2ccc(Br)cc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide?
The InChIKey is FQQRPUJGROEBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O2/c1-23-14-12-18(13-15-23)24(2)21(25)20(16-6-4-3-5-7-16)26-19-10-8-17(22)9-11-19/h3-11,18,20H,12-15H2,1-2H3.
What are the key properties of 2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide?
2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide has a molecular weight of 417.35 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenylacetamide is sourced from PubChem (CID 112834233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).