2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide

C13H18IN3O — CID 66186902

IUPAC2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(C)C1CNC1
InChIInChI=1S/C13H18IN3O/c1-9-5-10(14)3-4-12(9)16-13(18)8-17(2)11-6-15-7-11/h3-5,11,15H,6-8H2,1-2H3,(H,16,18)
InChIKeySEYBPPQSPYXGLC-UHFFFAOYSA-N
MW359.21 g/mol
LogP1.44
Rot. Bonds4

About 2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide

2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 66186902) has the molecular formula C13H18IN3O and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID66186902
Molecular FormulaC13H18IN3O
Molecular Weight359.21 g/mol
Exact Mass359.05
IUPAC Name2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(C)C1CNC1
InChIInChI=1S/C13H18IN3O/c1-9-5-10(14)3-4-12(9)16-13(18)8-17(2)11-6-15-7-11/h3-5,11,15H,6-8H2,1-2H3,(H,16,18)
InChIKeySEYBPPQSPYXGLC-UHFFFAOYSA-N
XLogP1.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
2-[azetidin-3-yl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 66186447
2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833237
N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635701
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743
N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614241
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 60973242
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 8766654
methyl 3-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62010900
2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 66186198
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide (CID 66186902) is 2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)CN(C)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is SEYBPPQSPYXGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3O/c1-9-5-10(14)3-4-12(9)16-13(18)8-17(2)11-6-15-7-11/h3-5,11,15H,6-8H2,1-2H3,(H,16,18).
What are the key properties of 2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 359.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 66186902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).