N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C11H16ClIN2O — CID 119672677

IUPACN-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(I)cc1.Cl
InChIInChI=1S/C11H15IN2O.ClH/c1-8(7-13-2)11(15)14-10-5-3-9(12)4-6-10;/h3-6,8,13H,7H2,1-2H3,(H,14,15);1H
InChIKeyZIYYWECRBUPPDY-UHFFFAOYSA-N
MW354.62 g/mol
LogP2.51
Rot. Bonds4

About N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119672677) has the molecular formula C11H16ClIN2O and a molecular weight of 354.62 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119672677
Molecular FormulaC11H16ClIN2O
Molecular Weight354.62 g/mol
Exact Mass354.00
IUPAC NameN-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(I)cc1.Cl
InChIInChI=1S/C11H15IN2O.ClH/c1-8(7-13-2)11(15)14-10-5-3-9(12)4-6-10;/h3-6,8,13H,7H2,1-2H3,(H,14,15);1H
InChIKeyZIYYWECRBUPPDY-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.62
LogP ≤ 52.51
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-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride
CID 119769549
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429
2-methyl-3-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]propanamide
CID 119742882
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119672677) is N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(I)cc1.Cl.
What is the InChIKey of N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is ZIYYWECRBUPPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O.ClH/c1-8(7-13-2)11(15)14-10-5-3-9(12)4-6-10;/h3-6,8,13H,7H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 354.62 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119672677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).