4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide

C14H13ClN2O2 — CID 43396829

IUPAC4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1O)c1cccnc1
InChIInChI=1S/C14H13ClN2O2/c1-9(10-3-2-6-16-8-10)17-14(19)12-5-4-11(15)7-13(12)18/h2-9,18H,1H3,(H,17,19)
InChIKeyBRNMIODQILQEMR-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.93
Rot. Bonds3

About 4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide

4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 43396829) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID43396829
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1O)c1cccnc1
InChIInChI=1S/C14H13ClN2O2/c1-9(10-3-2-6-16-8-10)17-14(19)12-5-4-11(15)7-13(12)18/h2-9,18H,1H3,(H,17,19)
InChIKeyBRNMIODQILQEMR-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103891645
2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide
CID 51193025
5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103604669
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 107794747
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 54861340
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide (CID 43396829) is 4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide is CC(NC(=O)c1ccc(Cl)cc1O)c1cccnc1.
What is the InChIKey of 4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is BRNMIODQILQEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9(10-3-2-6-16-8-10)17-14(19)12-5-4-11(15)7-13(12)18/h2-9,18H,1H3,(H,17,19).
What are the key properties of 4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide?
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 276.72 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 43396829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).