N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide

C16H16INO — CID 2213666

IUPACN-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C)c2C)cc1I
InChIInChI=1S/C16H16INO/c1-10-5-4-6-15(12(10)3)18-16(19)13-8-7-11(2)14(17)9-13/h4-9H,1-3H3,(H,18,19)
InChIKeyWTCNRWAFHIVWSL-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.47
Rot. Bonds2

About N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide

N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide (PubChem CID 2213666) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
PubChem CID2213666
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC NameN-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C)c2C)cc1I
InChIInChI=1S/C16H16INO/c1-10-5-4-6-15(12(10)3)18-16(19)13-8-7-11(2)14(17)9-13/h4-9H,1-3H3,(H,18,19)
InChIKeyWTCNRWAFHIVWSL-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide 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

3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 59381869
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692364
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
CID 170549182
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide (CID 2213666) is N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1I.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide?
The InChIKey is WTCNRWAFHIVWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-10-5-4-6-15(12(10)3)18-16(19)13-8-7-11(2)14(17)9-13/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide?
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide has a molecular weight of 365.21 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide is sourced from PubChem (CID 2213666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).