3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide

C18H18N2O2 — CID 173118925

IUPAC3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2C(=O)CC2CCN2)c1
InChIInChI=1S/C18H18N2O2/c19-18(22)13-5-3-4-12(10-13)15-6-1-2-7-16(15)17(21)11-14-8-9-20-14/h1-7,10,14,20H,8-9,11H2,(H2,19,22)
InChIKeyROAFAPWQSHOTJL-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.39
Rot. Bonds5

About 3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide

3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide (PubChem CID 173118925) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide
PubChem CID173118925
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccccc2C(=O)CC2CCN2)c1
InChIInChI=1S/C18H18N2O2/c19-18(22)13-5-3-4-12(10-13)15-6-1-2-7-16(15)17(21)11-14-8-9-20-14/h1-7,10,14,20H,8-9,11H2,(H2,19,22)
InChIKeyROAFAPWQSHOTJL-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide?
The IUPAC name of 3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide (CID 173118925) is 3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide.
What is the SMILES notation for 3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide?
The canonical SMILES for 3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide is NC(=O)c1cccc(-c2ccccc2C(=O)CC2CCN2)c1.
What is the InChIKey of 3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide?
The InChIKey is ROAFAPWQSHOTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-18(22)13-5-3-4-12(10-13)15-6-1-2-7-16(15)17(21)11-14-8-9-20-14/h1-7,10,14,20H,8-9,11H2,(H2,19,22).
What are the key properties of 3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide?
3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(azetidin-2-yl)acetyl]phenyl]benzamide is sourced from PubChem (CID 173118925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).