N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide

C23H22INO — CID 165178391

IUPACN-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)N(Cc1ccccc1)c1ccccc1I)c1ccccc1
InChIInChI=1S/C23H22INO/c1-23(2,19-13-7-4-8-14-19)22(26)25(17-18-11-5-3-6-12-18)21-16-10-9-15-20(21)24/h3-16H,17H2,1-2H3
InChIKeyJBNYCKITDXVSCG-UHFFFAOYSA-N
MW455.34 g/mol
LogP5.80
Rot. Bonds5

About N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide

N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide (PubChem CID 165178391) has the molecular formula C23H22INO and a molecular weight of 455.34 g/mol. Its IUPAC name is N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide
PubChem CID165178391
Molecular FormulaC23H22INO
Molecular Weight455.34 g/mol
Exact Mass455.07
IUPAC NameN-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)N(Cc1ccccc1)c1ccccc1I)c1ccccc1
InChIInChI=1S/C23H22INO/c1-23(2,19-13-7-4-8-14-19)22(26)25(17-18-11-5-3-6-12-18)21-16-10-9-15-20(21)24/h3-16H,17H2,1-2H3
InChIKeyJBNYCKITDXVSCG-UHFFFAOYSA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide
CID 134974389
N-benzyl-2,2-dimethyl-N-(2-phenylphenyl)propanamide
CID 4276437
N,2-dimethyl-2-phenyl-N-silylpropanamide
CID 173360182
N-benzyl-N-(2-iodo-4-methylphenyl)acetamide
CID 11079043
benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
tert-butyl N-(2-iodophenyl)-N-propylcarbamate
CID 165178423
3-[[N-(2,2-dimethylpropanoyl)-2-ethylanilino]methyl]benzoic acid
CID 84560964
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
N-benzyl-2,2-dimethylbutanehydrazide
CID 178067841
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
CID 46532557
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide
CID 43275450

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide (CID 165178391) is N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide is CC(C)(C(=O)N(Cc1ccccc1)c1ccccc1I)c1ccccc1.
What is the InChIKey of N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide?
The InChIKey is JBNYCKITDXVSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22INO/c1-23(2,19-13-7-4-8-14-19)22(26)25(17-18-11-5-3-6-12-18)21-16-10-9-15-20(21)24/h3-16H,17H2,1-2H3.
What are the key properties of N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide?
N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide has a molecular weight of 455.34 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 165178391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).