5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide

C14H13BrN2O2 — CID 103604669

IUPAC5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1O)c1cccnc1
InChIInChI=1S/C14H13BrN2O2/c1-9(10-3-2-6-16-8-10)17-14(19)12-7-11(15)4-5-13(12)18/h2-9,18H,1H3,(H,17,19)
InChIKeyMXVCCBPDKADZGG-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.04
Rot. Bonds3

About 5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide

5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 103604669) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID103604669
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1O)c1cccnc1
InChIInChI=1S/C14H13BrN2O2/c1-9(10-3-2-6-16-8-10)17-14(19)12-7-11(15)4-5-13(12)18/h2-9,18H,1H3,(H,17,19)
InChIKeyMXVCCBPDKADZGG-UHFFFAOYSA-N
XLogP3.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103891645
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 54861340
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857031
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-[1-(3-bromophenyl)ethyl]-4-chloropyridine-3-carboxamide
CID 81227386

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide (CID 103604669) is 5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide is CC(NC(=O)c1cc(Br)ccc1O)c1cccnc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is MXVCCBPDKADZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9(10-3-2-6-16-8-10)17-14(19)12-7-11(15)4-5-13(12)18/h2-9,18H,1H3,(H,17,19).
What are the key properties of 5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide?
5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 321.17 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 103604669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).