N-(3-iodo-2-methylphenyl)-3-methylbenzamide

C15H14INO — CID 113368760

IUPACN-(3-iodo-2-methylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(I)c2C)c1
InChIInChI=1S/C15H14INO/c1-10-5-3-6-12(9-10)15(18)17-14-8-4-7-13(16)11(14)2/h3-9H,1-2H3,(H,17,18)
InChIKeyYSNJFLVMAUEEEE-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.16
Rot. Bonds2

About N-(3-iodo-2-methylphenyl)-3-methylbenzamide

N-(3-iodo-2-methylphenyl)-3-methylbenzamide (PubChem CID 113368760) has the molecular formula C15H14INO and a molecular weight of 351.19 g/mol. Its IUPAC name is N-(3-iodo-2-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-iodo-2-methylphenyl)-3-methylbenzamide
PubChem CID113368760
Molecular FormulaC15H14INO
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC NameN-(3-iodo-2-methylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(I)c2C)c1
InChIInChI=1S/C15H14INO/c1-10-5-3-6-12(9-10)15(18)17-14-8-4-7-13(16)11(14)2/h3-9H,1-2H3,(H,17,18)
InChIKeyYSNJFLVMAUEEEE-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.16
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

4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
CID 113368778
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 1089815
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945
3-[(3-methylbenzoyl)amino]phthalic acid
CID 17172174
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide
CID 17102075
N-(3-acetamido-2-methylphenyl)-3,5-dimethylbenzamide
CID 39975965
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-2-methylphenyl)-3-methylbenzamide?
The IUPAC name of N-(3-iodo-2-methylphenyl)-3-methylbenzamide (CID 113368760) is N-(3-iodo-2-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3-iodo-2-methylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(3-iodo-2-methylphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(I)c2C)c1.
What is the InChIKey of N-(3-iodo-2-methylphenyl)-3-methylbenzamide?
The InChIKey is YSNJFLVMAUEEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO/c1-10-5-3-6-12(9-10)15(18)17-14-8-4-7-13(16)11(14)2/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(3-iodo-2-methylphenyl)-3-methylbenzamide?
N-(3-iodo-2-methylphenyl)-3-methylbenzamide has a molecular weight of 351.19 g/mol, XLogP of 4.16, 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)-3-methylbenzamide is sourced from PubChem (CID 113368760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).