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

C15H14INO2 — CID 170552311

IUPACN-(2-iodo-3-methylphenyl)-N-methoxybenzamide
SMILESCON(C(=O)c1ccccc1)c1cccc(C)c1I
InChIInChI=1S/C15H14INO2/c1-11-7-6-10-13(14(11)16)17(19-2)15(18)12-8-4-3-5-9-12/h3-10H,1-2H3
InChIKeyVHAPKQYWENLVGI-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.81
Rot. Bonds3

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

N-(2-iodo-3-methylphenyl)-N-methoxybenzamide (PubChem CID 170552311) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is N-(2-iodo-3-methylphenyl)-N-methoxybenzamide.

Molecular Properties

Compound NameN-(2-iodo-3-methylphenyl)-N-methoxybenzamide
PubChem CID170552311
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC NameN-(2-iodo-3-methylphenyl)-N-methoxybenzamide
SMILESCON(C(=O)c1ccccc1)c1cccc(C)c1I
InChIInChI=1S/C15H14INO2/c1-11-7-6-10-13(14(11)16)17(19-2)15(18)12-8-4-3-5-9-12/h3-10H,1-2H3
InChIKeyVHAPKQYWENLVGI-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-(2-methylphenyl)acetamide
CID 14936359
N-(2-methoxy-6-methylphenyl)-N-methylbenzamide
CID 68723005
N-(2-hydroxyethyl)-N-(2-methylphenyl)benzamide
CID 91188754
N-(3-aminopropyl)-N-(2-methylphenyl)benzamide
CID 28766808
N-(2-iodophenyl)-N,2-dimethoxybenzamide
CID 170552313
diethyl 2-(N-benzoyl-2-methylanilino)propanedioate
CID 13130439
1,3-diamino-1-(2-iodo-3-methylphenyl)urea
CID 155217850
tert-butyl N-methoxy-N-(2-methylphenyl)carbamate
CID 54101933
N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide
CID 130328320
1-(2-iodo-3-methylphenyl)-1-methylhydrazine
CID 155217880
N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide
CID 47313955
N-hydroxy-N-(2-iodophenyl)benzamide
CID 13226844

Frequently Asked Questions

What is the IUPAC name of N-(2-iodo-3-methylphenyl)-N-methoxybenzamide?
The IUPAC name of N-(2-iodo-3-methylphenyl)-N-methoxybenzamide (CID 170552311) is N-(2-iodo-3-methylphenyl)-N-methoxybenzamide.
What is the SMILES notation for N-(2-iodo-3-methylphenyl)-N-methoxybenzamide?
The canonical SMILES for N-(2-iodo-3-methylphenyl)-N-methoxybenzamide is CON(C(=O)c1ccccc1)c1cccc(C)c1I.
What is the InChIKey of N-(2-iodo-3-methylphenyl)-N-methoxybenzamide?
The InChIKey is VHAPKQYWENLVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/c1-11-7-6-10-13(14(11)16)17(19-2)15(18)12-8-4-3-5-9-12/h3-10H,1-2H3.
What are the key properties of N-(2-iodo-3-methylphenyl)-N-methoxybenzamide?
N-(2-iodo-3-methylphenyl)-N-methoxybenzamide has a molecular weight of 367.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-3-methylphenyl)-N-methoxybenzamide is sourced from PubChem (CID 170552311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).