2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide

C16H16INO2 — CID 3389695

IUPAC2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C16H16INO2/c1-11(12-7-9-13(20-2)10-8-12)18-16(19)14-5-3-4-6-15(14)17/h3-11H,1-2H3,(H,18,19)
InChIKeySMQWPJLMGQZEGL-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.79
Rot. Bonds4

About 2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide

2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 3389695) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID3389695
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C16H16INO2/c1-11(12-7-9-13(20-2)10-8-12)18-16(19)14-5-3-4-6-15(14)17/h3-11H,1-2H3,(H,18,19)
InChIKeySMQWPJLMGQZEGL-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
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-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
CID 2981930
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 92677839
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-iodobenzamide
CID 60674615

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide (CID 3389695) is 2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(C)NC(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is SMQWPJLMGQZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-11(12-7-9-13(20-2)10-8-12)18-16(19)14-5-3-4-6-15(14)17/h3-11H,1-2H3,(H,18,19).
What are the key properties of 2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide?
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 381.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 3389695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).