N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide

C16H16INO — CID 113368793

IUPACN-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(I)c2C)c1C
InChIInChI=1S/C16H16INO/c1-10-6-4-7-13(11(10)2)16(19)18-15-9-5-8-14(17)12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyNYQLNGMEXXLSSB-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.47
Rot. Bonds2

About N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide

N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide (PubChem CID 113368793) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
PubChem CID113368793
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC NameN-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(I)c2C)c1C
InChIInChI=1S/C16H16INO/c1-10-6-4-7-13(11(10)2)16(19)18-15-9-5-8-14(17)12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyNYQLNGMEXXLSSB-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'}

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Related Compounds

N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide
CID 113368797
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dimethylbenzamide
CID 24708814
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
2-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715
N-(4-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7751902
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate
CID 58399637
3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide
CID 114256881
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide (CID 113368793) is N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)Nc2cccc(I)c2C)c1C.
What is the InChIKey of N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide?
The InChIKey is NYQLNGMEXXLSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-10-6-4-7-13(11(10)2)16(19)18-15-9-5-8-14(17)12(15)3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide?
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide 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-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide is sourced from PubChem (CID 113368793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).