2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide

C19H19Cl2NO3 — CID 56558388

IUPAC2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO3/c20-14-8-7-13(17(21)10-14)11-25-18-6-2-1-5-16(18)19(23)22-15-4-3-9-24-12-15/h1-2,5-8,10,15H,3-4,9,11-12H2,(H,22,23)
InChIKeyVJMHDQVRIRNNMM-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.48
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide

2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide (PubChem CID 56558388) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide
PubChem CID56558388
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO3/c20-14-8-7-13(17(21)10-14)11-25-18-6-2-1-5-16(18)19(23)22-15-4-3-9-24-12-15/h1-2,5-8,10,15H,3-4,9,11-12H2,(H,22,23)
InChIKeyVJMHDQVRIRNNMM-UHFFFAOYSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide
CID 78795831
2-[(2-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428088
N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide
CID 155574259
[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 60590462
2-[(2,4-dichlorophenyl)methoxy]-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 124669662
N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide
CID 100606317
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride
CID 119458592
(4-aminopiperidin-1-yl)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 119374451
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 4720065
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167980519
2-[(2,4-dichlorophenyl)methoxy]-N-(4-sulfamoylphenyl)benzamide
CID 2123312
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331493

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide (CID 56558388) is 2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide is O=C(NC1CCCOC1)c1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide?
The InChIKey is VJMHDQVRIRNNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c20-14-8-7-13(17(21)10-14)11-25-18-6-2-1-5-16(18)19(23)22-15-4-3-9-24-12-15/h1-2,5-8,10,15H,3-4,9,11-12H2,(H,22,23).
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide?
2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide has a molecular weight of 380.27 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide is sourced from PubChem (CID 56558388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).