5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

C13H16ClNO4 — CID 104708991

IUPAC5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCOC1(CNC(=O)c2cc(Cl)ccc2O)CCOC1
InChIInChI=1S/C13H16ClNO4/c1-18-13(4-5-19-8-13)7-15-12(17)10-6-9(14)2-3-11(10)16/h2-3,6,16H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyXOFRQUZXPHZYEC-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.58
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (PubChem CID 104708991) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
PubChem CID104708991
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCOC1(CNC(=O)c2cc(Cl)ccc2O)CCOC1
InChIInChI=1S/C13H16ClNO4/c1-18-13(4-5-19-8-13)7-15-12(17)10-6-9(14)2-3-11(10)16/h2-3,6,16H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyXOFRQUZXPHZYEC-UHFFFAOYSA-N
XLogP1.58
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]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-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758375
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104709027
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939
N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
CID 104764689
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
3-(3-hydroxyprop-1-ynyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-4-carboxamide
CID 104764916
3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758296
2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765708

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (CID 104708991) is 5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is COC1(CNC(=O)c2cc(Cl)ccc2O)CCOC1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The InChIKey is XOFRQUZXPHZYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-18-13(4-5-19-8-13)7-15-12(17)10-6-9(14)2-3-11(10)16/h2-3,6,16H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of 5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide has a molecular weight of 285.73 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 104708991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).