N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide

C17H18INO — CID 4936097

IUPACN-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C17H18INO/c1-4-13-7-5-6-12(3)16(13)19-17(20)14-9-8-11(2)15(18)10-14/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyKYYYNEKHNPYVPT-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.72
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide

N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide (PubChem CID 4936097) has the molecular formula C17H18INO and a molecular weight of 379.24 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
PubChem CID4936097
Molecular FormulaC17H18INO
Molecular Weight379.24 g/mol
Exact Mass379.04
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C17H18INO/c1-4-13-7-5-6-12(3)16(13)19-17(20)14-9-8-11(2)15(18)10-14/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyKYYYNEKHNPYVPT-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.72
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

3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
3-amino-4-bromo-N-(2-ethyl-6-methylphenyl)benzamide
CID 61090453
3-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 110295898
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819
3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 24697035
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
N-(2-ethyl-6-methylphenyl)-3-methyl-4-nitrobenzamide
CID 924495

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide (CID 4936097) is N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide is CCc1cccc(C)c1NC(=O)c1ccc(C)c(I)c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide?
The InChIKey is KYYYNEKHNPYVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO/c1-4-13-7-5-6-12(3)16(13)19-17(20)14-9-8-11(2)15(18)10-14/h5-10H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide?
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide has a molecular weight of 379.24 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide is sourced from PubChem (CID 4936097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).