N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide

C16H16INO2 — CID 100526929

IUPACN-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide
SMILESCCOc1cccc(NC(=O)c2ccc(C)cc2I)c1
InChIInChI=1S/C16H16INO2/c1-3-20-13-6-4-5-12(10-13)18-16(19)14-8-7-11(2)9-15(14)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyZLCWOZPNYPGBIR-UHFFFAOYSA-N
MW381.21 g/mol
LogP4.25
Rot. Bonds4

About N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide

N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide (PubChem CID 100526929) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide
PubChem CID100526929
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC NameN-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide
SMILESCCOc1cccc(NC(=O)c2ccc(C)cc2I)c1
InChIInChI=1S/C16H16INO2/c1-3-20-13-6-4-5-12(10-13)18-16(19)14-8-7-11(2)9-15(14)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyZLCWOZPNYPGBIR-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide
CID 103989258
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168
N-[3-(2-ethoxyethoxy)phenyl]-2-iodobenzamide
CID 19628694
N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide
CID 104627784
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
N-(3-ethoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107025835
N-(3-ethoxyphenyl)-2-hydrazinylbenzamide
CID 62247314
4-bromo-N-(3-ethoxyphenyl)-2-sulfanylbenzamide
CID 107025832
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide?
The IUPAC name of N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide (CID 100526929) is N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide?
The canonical SMILES for N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide is CCOc1cccc(NC(=O)c2ccc(C)cc2I)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide?
The InChIKey is ZLCWOZPNYPGBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-3-20-13-6-4-5-12(10-13)18-16(19)14-8-7-11(2)9-15(14)17/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide?
N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide has a molecular weight of 381.21 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide is sourced from PubChem (CID 100526929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).