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

C15H20BrFN2O2 — CID 107952170

IUPAC3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(CCO)C(=O)c2cccc(Br)c2F)CC1
InChIInChI=1S/C15H20BrFN2O2/c1-18-7-5-11(6-8-18)19(9-10-20)15(21)12-3-2-4-13(16)14(12)17/h2-4,11,20H,5-10H2,1H3
InChIKeyHBMGBSQPAVHAIR-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.12
Rot. Bonds4

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

3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 107952170) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID107952170
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(CCO)C(=O)c2cccc(Br)c2F)CC1
InChIInChI=1S/C15H20BrFN2O2/c1-18-7-5-11(6-8-18)19(9-10-20)15(21)12-3-2-4-13(16)14(12)17/h2-4,11,20H,5-10H2,1H3
InChIKeyHBMGBSQPAVHAIR-UHFFFAOYSA-N
XLogP2.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 106547829
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60959224
3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide
CID 107952814
3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 106545014
N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide
CID 107951244
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 61115533
3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 54877994
3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 104852406
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749875

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide (CID 107952170) is 3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(CCO)C(=O)c2cccc(Br)c2F)CC1.
What is the InChIKey of 3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is HBMGBSQPAVHAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-18-7-5-11(6-8-18)19(9-10-20)15(21)12-3-2-4-13(16)14(12)17/h2-4,11,20H,5-10H2,1H3.
What are the key properties of 3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide?
3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 359.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 107952170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).