2-(dimethylamino)-N-(4-iodophenyl)propanamide

C11H15IN2O — CID 91154002

IUPAC2-(dimethylamino)-N-(4-iodophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(I)cc1)N(C)C
InChIInChI=1S/C11H15IN2O/c1-8(14(2)3)11(15)13-10-6-4-9(12)5-7-10/h4-8H,1-3H3,(H,13,15)
InChIKeyLSOSQIGQQJRYGL-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.18
Rot. Bonds3

About 2-(dimethylamino)-N-(4-iodophenyl)propanamide

2-(dimethylamino)-N-(4-iodophenyl)propanamide (PubChem CID 91154002) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-iodophenyl)propanamide
PubChem CID91154002
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name2-(dimethylamino)-N-(4-iodophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(I)cc1)N(C)C
InChIInChI=1S/C11H15IN2O/c1-8(14(2)3)11(15)13-10-6-4-9(12)5-7-10/h4-8H,1-3H3,(H,13,15)
InChIKeyLSOSQIGQQJRYGL-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 17496516
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
N-(4-iodophenyl)acetamide
CID 12147
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide
CID 1289518
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-N-(4-iodophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998779
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 2505187
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2943102
2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745
N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide
CID 155681473

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-iodophenyl)propanamide?
The IUPAC name of 2-(dimethylamino)-N-(4-iodophenyl)propanamide (CID 91154002) is 2-(dimethylamino)-N-(4-iodophenyl)propanamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-iodophenyl)propanamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-iodophenyl)propanamide is CC(C(=O)Nc1ccc(I)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(4-iodophenyl)propanamide?
The InChIKey is LSOSQIGQQJRYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-8(14(2)3)11(15)13-10-6-4-9(12)5-7-10/h4-8H,1-3H3,(H,13,15).
What are the key properties of 2-(dimethylamino)-N-(4-iodophenyl)propanamide?
2-(dimethylamino)-N-(4-iodophenyl)propanamide has a molecular weight of 318.16 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-iodophenyl)propanamide is sourced from PubChem (CID 91154002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).