N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide

C22H21IN2O — CID 134974389

IUPACN-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide
SMILESCN(C)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2I)cc1
InChIInChI=1S/C22H21IN2O/c1-24(2)19-14-12-18(13-15-19)22(26)25(16-17-8-4-3-5-9-17)21-11-7-6-10-20(21)23/h3-15H,16H2,1-2H3
InChIKeyVOFCSEDMGJFDJI-UHFFFAOYSA-N
MW456.33 g/mol
LogP5.20
Rot. Bonds5

About N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide

N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide (PubChem CID 134974389) has the molecular formula C22H21IN2O and a molecular weight of 456.33 g/mol. Its IUPAC name is N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide
PubChem CID134974389
Molecular FormulaC22H21IN2O
Molecular Weight456.33 g/mol
Exact Mass456.07
IUPAC NameN-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide
SMILESCN(C)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2I)cc1
InChIInChI=1S/C22H21IN2O/c1-24(2)19-14-12-18(13-15-19)22(26)25(16-17-8-4-3-5-9-17)21-11-7-6-10-20(21)23/h3-15H,16H2,1-2H3
InChIKeyVOFCSEDMGJFDJI-UHFFFAOYSA-N
XLogP5.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide
CID 8613503
N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide
CID 165178391
N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide
CID 101117712
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide
CID 35573441
N-but-2-ynyl-N-(2-iodophenyl)benzamide
CID 14943562
4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 35573650
4-(dimethylamino)-N-phenacyl-N-phenylbenzamide
CID 5073798
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41055287
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide?
The IUPAC name of N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide (CID 134974389) is N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide.
What is the SMILES notation for N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide?
The canonical SMILES for N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide is CN(C)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2I)cc1.
What is the InChIKey of N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide?
The InChIKey is VOFCSEDMGJFDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21IN2O/c1-24(2)19-14-12-18(13-15-19)22(26)25(16-17-8-4-3-5-9-17)21-11-7-6-10-20(21)23/h3-15H,16H2,1-2H3.
What are the key properties of N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide?
N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide has a molecular weight of 456.33 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide is sourced from PubChem (CID 134974389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).