N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

C15H22IN3O — CID 106614241

IUPACN-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(C)CC1CCCN1
InChIInChI=1S/C15H22IN3O/c1-11-8-12(16)5-6-14(11)18-15(20)10-19(2)9-13-4-3-7-17-13/h5-6,8,13,17H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyWSTDKDMKXUKEHO-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.22
Rot. Bonds5

About N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106614241) has the molecular formula C15H22IN3O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106614241
Molecular FormulaC15H22IN3O
Molecular Weight387.27 g/mol
Exact Mass387.08
IUPAC NameN-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(C)CC1CCCN1
InChIInChI=1S/C15H22IN3O/c1-11-8-12(16)5-6-14(11)18-15(20)10-19(2)9-13-4-3-7-17-13/h5-6,8,13,17H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyWSTDKDMKXUKEHO-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635701
N-(4-bromo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635384
N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614250
N-(3-iodophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635710
N-(2-methoxyphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613869
2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 66186902
N-(2,5-difluorophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635385
2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 106613623
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 8766654
N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614179
2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
methyl 3-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62010900

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106614241) is N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is Cc1cc(I)ccc1NC(=O)CN(C)CC1CCCN1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is WSTDKDMKXUKEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN3O/c1-11-8-12(16)5-6-14(11)18-15(20)10-19(2)9-13-4-3-7-17-13/h5-6,8,13,17H,3-4,7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 387.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106614241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).