2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide

C17H19IN2O — CID 43782874

IUPAC2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NC(C)c1ccc(I)cc1
InChIInChI=1S/C17H19IN2O/c1-12(13-7-9-15(18)10-8-13)20-16-6-4-3-5-14(16)11-17(21)19-2/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyDSJOTJXOTHUUFQ-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.75
Rot. Bonds5

About 2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide

2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide (PubChem CID 43782874) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is 2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide
PubChem CID43782874
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC Name2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NC(C)c1ccc(I)cc1
InChIInChI=1S/C17H19IN2O/c1-12(13-7-9-15(18)10-8-13)20-16-6-4-3-5-14(16)11-17(21)19-2/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyDSJOTJXOTHUUFQ-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide
CID 43692244
N-methyl-2-[2-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43692245
2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide
CID 55086327
N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115928894
N-methyl-2-[2-[1-(1-methylcyclopropyl)ethylamino]phenyl]acetamide
CID 43692229
N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43758444
N-methyl-2-[2-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43692234
2-tert-butyl-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780792
N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline
CID 43757793
3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55105612
5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol
CID 43790452
methyl 3-[1-(4-iodophenyl)ethylamino]-2-methylbenzoate
CID 43784580

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide (CID 43782874) is 2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NC(C)c1ccc(I)cc1.
What is the InChIKey of 2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide?
The InChIKey is DSJOTJXOTHUUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c1-12(13-7-9-15(18)10-8-13)20-16-6-4-3-5-14(16)11-17(21)19-2/h3-10,12,20H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide?
2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide has a molecular weight of 394.26 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 43782874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).