2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide

C17H17F2IN2O2 — CID 27218169

IUPAC2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(I)cc1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2IN2O2/c1-22(10-12-2-8-15(9-3-12)24-17(18)19)11-16(23)21-14-6-4-13(20)5-7-14/h2-9,17H,10-11H2,1H3,(H,21,23)
InChIKeyVEAMDHQJCPIKEU-UHFFFAOYSA-N
MW446.24 g/mol
LogP3.96
Rot. Bonds7

About 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide (PubChem CID 27218169) has the molecular formula C17H17F2IN2O2 and a molecular weight of 446.24 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
PubChem CID27218169
Molecular FormulaC17H17F2IN2O2
Molecular Weight446.24 g/mol
Exact Mass446.03
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(I)cc1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2IN2O2/c1-22(10-12-2-8-15(9-3-12)24-17(18)19)11-16(23)21-14-6-4-13(20)5-7-14/h2-9,17H,10-11H2,1H3,(H,21,23)
InChIKeyVEAMDHQJCPIKEU-UHFFFAOYSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9042633
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2516111
N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035433
2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27218006
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 9023972
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 9023545
N-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 134038489
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9024007
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide (CID 27218169) is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide is CN(CC(=O)Nc1ccc(I)cc1)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide?
The InChIKey is VEAMDHQJCPIKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2IN2O2/c1-22(10-12-2-8-15(9-3-12)24-17(18)19)11-16(23)21-14-6-4-13(20)5-7-14/h2-9,17H,10-11H2,1H3,(H,21,23).
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide?
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide has a molecular weight of 446.24 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 27218169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).