3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide

C16H16INO2 — CID 23733721

IUPAC3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(I)cc2C)c1
InChIInChI=1S/C16H16INO2/c1-3-20-14-6-4-5-12(10-14)16(19)18-15-8-7-13(17)9-11(15)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyIVVAMLMIRKKHTE-UHFFFAOYSA-N
MW381.21 g/mol
LogP4.25
Rot. Bonds4

About 3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide

3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide (PubChem CID 23733721) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
PubChem CID23733721
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(I)cc2C)c1
InChIInChI=1S/C16H16INO2/c1-3-20-14-6-4-5-12(10-14)16(19)18-15-8-7-13(17)9-11(15)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyIVVAMLMIRKKHTE-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

4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
N-(2-amino-4-methylphenyl)-3-ethoxybenzamide
CID 56773265
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
CID 2293914
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
N-(3-ethoxyphenyl)-3-methyl-4-(methylamino)benzamide
CID 63213981
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
N-(5-iodo-2-methylphenyl)-3-methoxybenzamide
CID 1047120
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide?
The IUPAC name of 3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide (CID 23733721) is 3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide is CCOc1cccc(C(=O)Nc2ccc(I)cc2C)c1.
What is the InChIKey of 3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide?
The InChIKey is IVVAMLMIRKKHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-3-20-14-6-4-5-12(10-14)16(19)18-15-8-7-13(17)9-11(15)2/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide?
3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide 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 3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide is sourced from PubChem (CID 23733721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).