5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide

C19H15Cl2N3O3 — CID 162651278

IUPAC5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2ccc(=O)[nH]c2)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H15Cl2N3O3/c20-12-2-5-17(25)14(7-12)19(27)24-16-4-3-13(8-15(16)21)22-9-11-1-6-18(26)23-10-11/h1-8,10,22,25H,9H2,(H,23,26)(H,24,27)
InChIKeyQBUXXVFPCWAVOZ-UHFFFAOYSA-N
MW404.25 g/mol
LogP4.25
Rot. Bonds5

About 5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide

5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide (PubChem CID 162651278) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide
PubChem CID162651278
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC Name5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2ccc(=O)[nH]c2)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C19H15Cl2N3O3/c20-12-2-5-17(25)14(7-12)19(27)24-16-4-3-13(8-15(16)21)22-9-11-1-6-18(26)23-10-11/h1-8,10,22,25H,9H2,(H,23,26)(H,24,27)
InChIKeyQBUXXVFPCWAVOZ-UHFFFAOYSA-N
XLogP4.25
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Niclosamide
CID 4477
Niclosamide ethanolamine salt
CID 14992
5-Chlorosalicylanilide
CID 14869
Benzamide, N-(4-chlorophenyl)-2-hydroxy-
CID 77253
4',5-Dichlorosalicylanilide
CID 24326
2-Hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 3440374
Benzamide, 3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-
CID 70853
N-(2-Chlorophenyl)-2-hydroxybenzamide
CID 247956
5-Chloro-2-hydroxy-N-(4-nitrophenyl)benzamide
CID 487721
5-chloro-N-(2-chlorophenyl)-2-hydroxybenzamide
CID 245914
3',5-Dichlorosalicylanilide
CID 20196
3',4',5-Trichlorosalicylanilide
CID 69506

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide (CID 162651278) is 5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide is O=C(Nc1ccc(NCc2ccc(=O)[nH]c2)cc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide?
The InChIKey is QBUXXVFPCWAVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3/c20-12-2-5-17(25)14(7-12)19(27)24-16-4-3-13(8-15(16)21)22-9-11-1-6-18(26)23-10-11/h1-8,10,22,25H,9H2,(H,23,26)(H,24,27).
What are the key properties of 5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide?
5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide has a molecular weight of 404.25 g/mol, XLogP of 4.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-4-[(6-oxo-1H-pyridin-3-yl)methylamino]phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 162651278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).