3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide

C16H23BrN2O2 — CID 104852406

IUPAC3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1cc(Br)cc(C(=O)N(CCO)C2CCN(C)CC2)c1
InChIInChI=1S/C16H23BrN2O2/c1-12-9-13(11-14(17)10-12)16(21)19(7-8-20)15-3-5-18(2)6-4-15/h9-11,15,20H,3-8H2,1-2H3
InChIKeyZIKLTIVHXKIWPK-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.29
Rot. Bonds4

About 3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide

3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 104852406) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID104852406
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1cc(Br)cc(C(=O)N(CCO)C2CCN(C)CC2)c1
InChIInChI=1S/C16H23BrN2O2/c1-12-9-13(11-14(17)10-12)16(21)19(7-8-20)15-3-5-18(2)6-4-15/h9-11,15,20H,3-8H2,1-2H3
InChIKeyZIKLTIVHXKIWPK-UHFFFAOYSA-N
XLogP2.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 54877994
3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 104852761
3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104852574
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 61115533
3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 115999697
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60959224
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 107952170
3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
CID 107975422

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 104852406) is 3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide is Cc1cc(Br)cc(C(=O)N(CCO)C2CCN(C)CC2)c1.
What is the InChIKey of 3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is ZIKLTIVHXKIWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-12-9-13(11-14(17)10-12)16(21)19(7-8-20)15-3-5-18(2)6-4-15/h9-11,15,20H,3-8H2,1-2H3.
What are the key properties of 3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide?
3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 355.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 104852406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).