3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide

C11H15IN2O — CID 62671199

IUPAC3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)CN)cc1I
InChIInChI=1S/C11H15IN2O/c1-7-3-4-9(5-10(7)12)14-11(15)8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H,14,15)
InChIKeyYZFXHFHULUQMKQ-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.13
Rot. Bonds3

About 3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide

3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide (PubChem CID 62671199) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide
PubChem CID62671199
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)CN)cc1I
InChIInChI=1S/C11H15IN2O/c1-7-3-4-9(5-10(7)12)14-11(15)8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H,14,15)
InChIKeyYZFXHFHULUQMKQ-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.13
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

2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide
CID 62637660
3-(3-iodo-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114897853
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
CID 62670776
3-amino-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
CID 62669230
(2R)-N-(3-iodo-4-methylphenyl)-2-methylsulfanylpropanamide
CID 38913650
(2S)-N-(3-iodo-4-methylphenyl)-2-methylsulfanylpropanamide
CID 38913647
2-amino-N-(3-iodo-4-methylphenyl)hexanamide
CID 60853696
3-amino-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide
CID 62669120
2-cyano-N-(3-iodo-4-methylphenyl)-3-methylbutanamide
CID 114257384
(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
CID 78985668
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide (CID 62671199) is 3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide is Cc1ccc(NC(=O)C(C)CN)cc1I.
What is the InChIKey of 3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide?
The InChIKey is YZFXHFHULUQMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-7-3-4-9(5-10(7)12)14-11(15)8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide?
3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide has a molecular weight of 318.16 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 62671199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).