4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide

C13H16ClNO3 — CID 115761034

IUPAC4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2ccc(Cl)cc2O)CCOCC1
InChIInChI=1S/C13H16ClNO3/c1-13(4-6-18-7-5-13)15-12(17)10-3-2-9(14)8-11(10)16/h2-3,8,16H,4-7H2,1H3,(H,15,17)
InChIKeyFCIHQUYHHIRTJQ-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.34
Rot. Bonds2

About 4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide

4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide (PubChem CID 115761034) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
PubChem CID115761034
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2ccc(Cl)cc2O)CCOCC1
InChIInChI=1S/C13H16ClNO3/c1-13(4-6-18-7-5-13)15-12(17)10-3-2-9(14)8-11(10)16/h2-3,8,16H,4-7H2,1H3,(H,15,17)
InChIKeyFCIHQUYHHIRTJQ-UHFFFAOYSA-N
XLogP2.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402
4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
CID 113341747
5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769264
2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide
CID 103765307
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553
2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide
CID 103525818
2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165
2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 104929999
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
2-hydroxy-4-methyl-N-(1-methylcyclohexyl)benzamide
CID 61216850
2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide
CID 113322134

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide (CID 115761034) is 4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide is CC1(NC(=O)c2ccc(Cl)cc2O)CCOCC1.
What is the InChIKey of 4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide?
The InChIKey is FCIHQUYHHIRTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-13(4-6-18-7-5-13)15-12(17)10-3-2-9(14)8-11(10)16/h2-3,8,16H,4-7H2,1H3,(H,15,17).
What are the key properties of 4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide?
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide has a molecular weight of 269.73 g/mol, XLogP of 2.34, 2 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-(4-methyloxan-4-yl)benzamide is sourced from PubChem (CID 115761034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).