4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide

C16H16INO3 — CID 2222983

IUPAC4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H16INO3/c1-20-14-6-8-15(9-7-14)21-11-10-18-16(19)12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyPTLRDXHDUBYNOG-UHFFFAOYSA-N
MW397.21 g/mol
LogP3.11
Rot. Bonds6

About 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide

4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide (PubChem CID 2222983) has the molecular formula C16H16INO3 and a molecular weight of 397.21 g/mol. Its IUPAC name is 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
PubChem CID2222983
Molecular FormulaC16H16INO3
Molecular Weight397.21 g/mol
Exact Mass397.02
IUPAC Name4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H16INO3/c1-20-14-6-8-15(9-7-14)21-11-10-18-16(19)12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyPTLRDXHDUBYNOG-UHFFFAOYSA-N
XLogP3.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101108
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide (CID 2222983) is 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide is COc1ccc(OCCNC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The InChIKey is PTLRDXHDUBYNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO3/c1-20-14-6-8-15(9-7-14)21-11-10-18-16(19)12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide has a molecular weight of 397.21 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 2222983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).