2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C21H23BrN2O2 — CID 112811335

IUPAC2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H23BrN2O2/c1-23-13-11-17(12-14-23)24(2)21(26)19-6-4-3-5-18(19)20(25)15-7-9-16(22)10-8-15/h3-10,17H,11-14H2,1-2H3
InChIKeyQSRQYQAPVYAUKK-UHFFFAOYSA-N
MW415.33 g/mol
LogP3.85
Rot. Bonds4

About 2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 112811335) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID112811335
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H23BrN2O2/c1-23-13-11-17(12-14-23)24(2)21(26)19-6-4-3-5-18(19)20(25)15-7-9-16(22)10-8-15/h3-10,17H,11-14H2,1-2H3
InChIKeyQSRQYQAPVYAUKK-UHFFFAOYSA-N
XLogP3.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide
CID 112811303
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573
2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110451168
5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24690461
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 104547292
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 47020581
4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61041639
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463788
4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 123781612

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 112811335) is 2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is QSRQYQAPVYAUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-23-13-11-17(12-14-23)24(2)21(26)19-6-4-3-5-18(19)20(25)15-7-9-16(22)10-8-15/h3-10,17H,11-14H2,1-2H3.
What are the key properties of 2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 415.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 112811335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).