2-[(3-iodophenyl)methylamino]-N-methylpropanamide

C11H15IN2O — CID 20823789

IUPAC2-[(3-iodophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cccc(I)c1
InChIInChI=1S/C11H15IN2O/c1-8(11(15)13-2)14-7-9-4-3-5-10(12)6-9/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyYTCOTUGPHZQNGY-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.52
Rot. Bonds4

About 2-[(3-iodophenyl)methylamino]-N-methylpropanamide

2-[(3-iodophenyl)methylamino]-N-methylpropanamide (PubChem CID 20823789) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-[(3-iodophenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-iodophenyl)methylamino]-N-methylpropanamide
PubChem CID20823789
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name2-[(3-iodophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cccc(I)c1
InChIInChI=1S/C11H15IN2O/c1-8(11(15)13-2)14-7-9-4-3-5-10(12)6-9/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyYTCOTUGPHZQNGY-UHFFFAOYSA-N
XLogP1.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.52
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

(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
CID 20823796
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
CID 103735692
N-methyl-2-[(3-nitrophenyl)methylamino]propanamide
CID 61057620
2-(3-iodophenyl)-N-methylacetamide
CID 130614224
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
(2R)-2-[(3-iodophenyl)methylamino]-4-methylpentanoic acid
CID 122037416
2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
CID 43400841
3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315731
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodophenyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(3-iodophenyl)methylamino]-N-methylpropanamide (CID 20823789) is 2-[(3-iodophenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3-iodophenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(3-iodophenyl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1cccc(I)c1.
What is the InChIKey of 2-[(3-iodophenyl)methylamino]-N-methylpropanamide?
The InChIKey is YTCOTUGPHZQNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-8(11(15)13-2)14-7-9-4-3-5-10(12)6-9/h3-6,8,14H,7H2,1-2H3,(H,13,15).
What are the key properties of 2-[(3-iodophenyl)methylamino]-N-methylpropanamide?
2-[(3-iodophenyl)methylamino]-N-methylpropanamide has a molecular weight of 318.16 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodophenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 20823789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).