N-(azetidin-3-yl)-4-iodo-N-methylbenzamide

C11H13IN2O — CID 66186385

IUPACN-(azetidin-3-yl)-4-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccc(I)cc1)C1CNC1
InChIInChI=1S/C11H13IN2O/c1-14(10-6-13-7-10)11(15)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3
InChIKeyCCEIYGMBCKBMQL-UHFFFAOYSA-N
MW316.14 g/mol
LogP1.34
Rot. Bonds2

About N-(azetidin-3-yl)-4-iodo-N-methylbenzamide

N-(azetidin-3-yl)-4-iodo-N-methylbenzamide (PubChem CID 66186385) has the molecular formula C11H13IN2O and a molecular weight of 316.14 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-iodo-N-methylbenzamide
PubChem CID66186385
Molecular FormulaC11H13IN2O
Molecular Weight316.14 g/mol
Exact Mass316.01
IUPAC NameN-(azetidin-3-yl)-4-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccc(I)cc1)C1CNC1
InChIInChI=1S/C11H13IN2O/c1-14(10-6-13-7-10)11(15)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3
InChIKeyCCEIYGMBCKBMQL-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide
CID 66185464
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
CID 66188486
N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
CID 66186140
1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide
CID 162705866
4-N-(2-aminopyrimidin-5-yl)-1-N-(azetidin-3-yl)-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 162705853
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81284942
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-iodo-N-methylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-4-iodo-N-methylbenzamide (CID 66186385) is N-(azetidin-3-yl)-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-iodo-N-methylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-4-iodo-N-methylbenzamide is CN(C(=O)c1ccc(I)cc1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-4-iodo-N-methylbenzamide?
The InChIKey is CCEIYGMBCKBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O/c1-14(10-6-13-7-10)11(15)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-4-iodo-N-methylbenzamide?
N-(azetidin-3-yl)-4-iodo-N-methylbenzamide has a molecular weight of 316.14 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-iodo-N-methylbenzamide is sourced from PubChem (CID 66186385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).