azetidin-2-one;benzene-1,2-dicarboxamide

C11H13N3O3 — CID 158728506

IUPACazetidin-2-one;benzene-1,2-dicarboxamide
SMILESNC(=O)c1ccccc1C(N)=O.O=C1CCN1
InChIInChI=1S/C8H8N2O2.C3H5NO/c9-7(11)5-3-1-2-4-6(5)8(10)12;5-3-1-2-4-3/h1-4H,(H2,9,11)(H2,10,12);1-2H2,(H,4,5)
InChIKeyIKUQSCVXWQRNHQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.61
Rot. Bonds2

About azetidin-2-one;benzene-1,2-dicarboxamide

azetidin-2-one;benzene-1,2-dicarboxamide (PubChem CID 158728506) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is azetidin-2-one;benzene-1,2-dicarboxamide.

Molecular Properties

Compound Nameazetidin-2-one;benzene-1,2-dicarboxamide
PubChem CID158728506
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameazetidin-2-one;benzene-1,2-dicarboxamide
SMILESNC(=O)c1ccccc1C(N)=O.O=C1CCN1
InChIInChI=1S/C8H8N2O2.C3H5NO/c9-7(11)5-3-1-2-4-6(5)8(10)12;5-3-1-2-4-3/h1-4H,(H2,9,11)(H2,10,12);1-2H2,(H,4,5)
InChIKeyIKUQSCVXWQRNHQ-UHFFFAOYSA-N
XLogP-0.61
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Phthalamide
CID 6956
N,N,N',N'-Tetraethylphthalamide
CID 66526
N-(2-aminoethyl)benzamide
CID 423156
N-Allylbenzamide
CID 307242
2-(3-Oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 2833078
N-(2-Methyl-benzyl)-benzamide
CID 789725
N-benzyl-2-methylbenzamide
CID 226952
2,3,4,5-tetrahydro-1H-2-benzazepin-1-one
CID 11240655
Dibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-
CID 106343
N,N'-dibutylphthalamide
CID 2294629
N,N'-dipropylphthalamide
CID 2304653
N-(1-Cyano-azetidin-3-ylmethyl)-benzamide
CID 9855884

Frequently Asked Questions

What is the IUPAC name of azetidin-2-one;benzene-1,2-dicarboxamide?
The IUPAC name of azetidin-2-one;benzene-1,2-dicarboxamide (CID 158728506) is azetidin-2-one;benzene-1,2-dicarboxamide.
What is the SMILES notation for azetidin-2-one;benzene-1,2-dicarboxamide?
The canonical SMILES for azetidin-2-one;benzene-1,2-dicarboxamide is NC(=O)c1ccccc1C(N)=O.O=C1CCN1.
What is the InChIKey of azetidin-2-one;benzene-1,2-dicarboxamide?
The InChIKey is IKUQSCVXWQRNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.C3H5NO/c9-7(11)5-3-1-2-4-6(5)8(10)12;5-3-1-2-4-3/h1-4H,(H2,9,11)(H2,10,12);1-2H2,(H,4,5).
What are the key properties of azetidin-2-one;benzene-1,2-dicarboxamide?
azetidin-2-one;benzene-1,2-dicarboxamide has a molecular weight of 235.24 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-2-one;benzene-1,2-dicarboxamide is sourced from PubChem (CID 158728506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).