N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

C14H20IN3O — CID 106614250

IUPACN-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(I)c1)CC1CCCN1
InChIInChI=1S/C14H20IN3O/c1-18(9-13-6-3-7-16-13)10-14(19)17-12-5-2-4-11(15)8-12/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,19)
InChIKeyAIDAUHRAXDMYAW-UHFFFAOYSA-N
MW373.24 g/mol
LogP1.91
Rot. Bonds5

About N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106614250) has the molecular formula C14H20IN3O and a molecular weight of 373.24 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106614250
Molecular FormulaC14H20IN3O
Molecular Weight373.24 g/mol
Exact Mass373.07
IUPAC NameN-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(I)c1)CC1CCCN1
InChIInChI=1S/C14H20IN3O/c1-18(9-13-6-3-7-16-13)10-14(19)17-12-5-2-4-11(15)8-12/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,19)
InChIKeyAIDAUHRAXDMYAW-UHFFFAOYSA-N
XLogP1.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 51.91
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

N-(3-iodophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635710
N-(3-ethylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635534
2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide
CID 106632733
N-(3-methoxyphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635727
N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614241
N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635701
2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 106613623
N-(3-methylphenyl)-2-[methyl(2-piperidin-2-ylethyl)amino]acetamide
CID 66273632
N-(2-methoxyphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613869
N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614400
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 106617904
2-[methyl(piperidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106635732

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106614250) is N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is CN(CC(=O)Nc1cccc(I)c1)CC1CCCN1.
What is the InChIKey of N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is AIDAUHRAXDMYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O/c1-18(9-13-6-3-7-16-13)10-14(19)17-12-5-2-4-11(15)8-12/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 373.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106614250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).