3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide

C21H25BrN2O2 — CID 4201717

IUPAC3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1Br
InChIInChI=1S/C21H25BrN2O2/c1-3-26-20-9-8-16(14-17(20)22)21(25)23-18-6-4-5-7-19(18)24-12-10-15(2)11-13-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25)
InChIKeyMSZVXDGADORKEE-UHFFFAOYSA-N
MW417.35 g/mol
LogP5.34
Rot. Bonds5

About 3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide

3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide (PubChem CID 4201717) has the molecular formula C21H25BrN2O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
PubChem CID4201717
Molecular FormulaC21H25BrN2O2
Molecular Weight417.35 g/mol
Exact Mass416.11
IUPAC Name3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1Br
InChIInChI=1S/C21H25BrN2O2/c1-3-26-20-9-8-16(14-17(20)22)21(25)23-18-6-4-5-7-19(18)24-12-10-15(2)11-13-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25)
InChIKeyMSZVXDGADORKEE-UHFFFAOYSA-N
XLogP5.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.35
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 2212911
3-bromo-N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 17116440
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384
3-bromo-4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067330
N-(2-ethoxyphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227298
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
3-bromo-N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxybenzamide
CID 2975568
3-chloro-4-methoxy-N-[[2-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 3942245
3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17151300
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676528
3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
CID 17355255
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide (CID 4201717) is 3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is MSZVXDGADORKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O2/c1-3-26-20-9-8-16(14-17(20)22)21(25)23-18-6-4-5-7-19(18)24-12-10-15(2)11-13-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25).
What are the key properties of 3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide?
3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 417.35 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 4201717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).