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

C12H15N3O2 — CID 64612243

IUPAC3-[[2-(azetidin-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CC2CNC2)c1
InChIInChI=1S/C12H15N3O2/c13-12(17)9-2-1-3-10(5-9)15-11(16)4-8-6-14-7-8/h1-3,5,8,14H,4,6-7H2,(H2,13,17)(H,15,16)
InChIKeyQQQPJUSEKVPUEI-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.33
Rot. Bonds4

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

3-[[2-(azetidin-3-yl)acetyl]amino]benzamide (PubChem CID 64612243) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[[2-(azetidin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(azetidin-3-yl)acetyl]amino]benzamide
PubChem CID64612243
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[[2-(azetidin-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CC2CNC2)c1
InChIInChI=1S/C12H15N3O2/c13-12(17)9-2-1-3-10(5-9)15-11(16)4-8-6-14-7-8/h1-3,5,8,14H,4,6-7H2,(H2,13,17)(H,15,16)
InChIKeyQQQPJUSEKVPUEI-UHFFFAOYSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide
CID 64612034
N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide
CID 64617559
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
CID 64618375
2-(azetidin-3-yl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 64616785
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
2-(azetidin-3-yl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 64618376
3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534577
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
2-(azetidin-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 65469553
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(azetidin-3-yl)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(azetidin-3-yl)acetyl]amino]benzamide (CID 64612243) is 3-[[2-(azetidin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(azetidin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(azetidin-3-yl)acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CC2CNC2)c1.
What is the InChIKey of 3-[[2-(azetidin-3-yl)acetyl]amino]benzamide?
The InChIKey is QQQPJUSEKVPUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-12(17)9-2-1-3-10(5-9)15-11(16)4-8-6-14-7-8/h1-3,5,8,14H,4,6-7H2,(H2,13,17)(H,15,16).
What are the key properties of 3-[[2-(azetidin-3-yl)acetyl]amino]benzamide?
3-[[2-(azetidin-3-yl)acetyl]amino]benzamide has a molecular weight of 233.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(azetidin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 64612243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).