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

C16H16INO2 — CID 1350175

IUPAC4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C16H16INO2/c1-3-20-14-7-4-12(5-8-14)16(19)18-15-9-6-13(17)10-11(15)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyHHXWBFMHGFSOQK-UHFFFAOYSA-N
MW381.21 g/mol
LogP4.25
Rot. Bonds4

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

4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide (PubChem CID 1350175) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
PubChem CID1350175
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C16H16INO2/c1-3-20-14-7-4-12(5-8-14)16(19)18-15-9-6-13(17)10-11(15)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyHHXWBFMHGFSOQK-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-hexoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 19170785
3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 23733721
[4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate
CID 1234586
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea
CID 108884390
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
CID 102851138
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
CID 60928289
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide?
The IUPAC name of 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide (CID 1350175) is 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide is CCOc1ccc(C(=O)Nc2ccc(I)cc2C)cc1.
What is the InChIKey of 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide?
The InChIKey is HHXWBFMHGFSOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-3-20-14-7-4-12(5-8-14)16(19)18-15-9-6-13(17)10-11(15)2/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide?
4-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 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide is sourced from PubChem (CID 1350175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).