4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide

C18H20N2O2 — CID 146477166

IUPAC4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(CN3CC(O)C3)cc2)c1
InChIInChI=1S/C18H20N2O2/c1-13-3-2-4-16(9-13)19-18(22)15-7-5-14(6-8-15)10-20-11-17(21)12-20/h2-9,17,21H,10-12H2,1H3,(H,19,22)
InChIKeyDLOLZRWQRNPZPR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.42
Rot. Bonds4

About 4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide

4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide (PubChem CID 146477166) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide
PubChem CID146477166
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(CN3CC(O)C3)cc2)c1
InChIInChI=1S/C18H20N2O2/c1-13-3-2-4-16(9-13)19-18(22)15-7-5-14(6-8-15)10-20-11-17(21)12-20/h2-9,17,21H,10-12H2,1H3,(H,19,22)
InChIKeyDLOLZRWQRNPZPR-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919041
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 43919042
N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99959632
4-[(4-hydroxyphenyl)methyl]-N-(3-methylphenyl)benzamide
CID 167167317
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide
CID 145450109
(3S,5R)-4-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 118367246
N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
CID 8573875
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
4-[[(2S,6R)-2,6-dimethyl-4-[(3-methylphenyl)carbamothioyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367245

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide (CID 146477166) is 4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(CN3CC(O)C3)cc2)c1.
What is the InChIKey of 4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide?
The InChIKey is DLOLZRWQRNPZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-3-2-4-16(9-13)19-18(22)15-7-5-14(6-8-15)10-20-11-17(21)12-20/h2-9,17,21H,10-12H2,1H3,(H,19,22).
What are the key properties of 4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide?
4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 146477166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).