N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide

C17H19IN2O — CID 134041322

IUPACN-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Nc1cccc(I)c1
InChIInChI=1S/C17H19IN2O/c1-11-6-4-7-12(2)16(11)20-17(21)13(3)19-15-9-5-8-14(18)10-15/h4-10,13,19H,1-3H3,(H,20,21)
InChIKeyHLBNTMCTXRBDKD-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.35
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide

N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide (PubChem CID 134041322) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide
PubChem CID134041322
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC NameN-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Nc1cccc(I)c1
InChIInChI=1S/C17H19IN2O/c1-11-6-4-7-12(2)16(11)20-17(21)13(3)19-15-9-5-8-14(18)10-15/h4-10,13,19H,1-3H3,(H,20,21)
InChIKeyHLBNTMCTXRBDKD-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.35
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

3-[2-(3-iodoanilino)propanoylamino]-N-methylbenzamide
CID 112811069
2-anilino-N-(2,4,6-trimethylphenyl)propanamide
CID 78666778
2-(3-iodoanilino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 112811073
N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide
CID 78818879
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide
CID 55545093
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide
CID 55430490
(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide
CID 25354903
(2S)-2-hydroxy-N-(3-iodophenyl)propanamide
CID 130653575
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide
CID 47065312
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide (CID 134041322) is N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide is Cc1cccc(C)c1NC(=O)C(C)Nc1cccc(I)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide?
The InChIKey is HLBNTMCTXRBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c1-11-6-4-7-12(2)16(11)20-17(21)13(3)19-15-9-5-8-14(18)10-15/h4-10,13,19H,1-3H3,(H,20,21).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide?
N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide has a molecular weight of 394.26 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide is sourced from PubChem (CID 134041322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).