5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide

C13H16ClNO3 — CID 82739696

IUPAC5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1N(C)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H16ClNO3/c1-8-11(5-6-18-8)15(2)13(17)10-7-9(14)3-4-12(10)16/h3-4,7-8,11,16H,5-6H2,1-2H3
InChIKeyWWHQGIIUMIASHP-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.30
Rot. Bonds2

About 5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide

5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82739696) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82739696
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1N(C)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H16ClNO3/c1-8-11(5-6-18-8)15(2)13(17)10-7-9(14)3-4-12(10)16/h3-4,7-8,11,16H,5-6H2,1-2H3
InChIKeyWWHQGIIUMIASHP-UHFFFAOYSA-N
XLogP2.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741761
4-chloro-2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
CID 82983699
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)-5-nitrobenzamide
CID 82734656
4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide
CID 113399934
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82742095
5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82734080
3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114025919
3-methyl-4-[methyl-(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82736669
4-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244438
N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide
CID 107172538
5-fluoro-N-methyl-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
CID 82734881
2-chloro-N-methyl-6-(methylamino)-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 82743811

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide (CID 82739696) is 5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1N(C)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is WWHQGIIUMIASHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-8-11(5-6-18-8)15(2)13(17)10-7-9(14)3-4-12(10)16/h3-4,7-8,11,16H,5-6H2,1-2H3.
What are the key properties of 5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 269.73 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82739696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).