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

C16H16INO2 — CID 7719108

IUPAC3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C16H16INO2/c1-11(14-8-3-4-9-15(14)20-2)18-16(19)12-6-5-7-13(17)10-12/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyTXTDRZMXOBTOLQ-NSHDSACASA-N
MW381.21 g/mol
LogP3.79
Rot. Bonds4

About 3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide

3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 7719108) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
PubChem CID7719108
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C16H16INO2/c1-11(14-8-3-4-9-15(14)20-2)18-16(19)12-6-5-7-13(17)10-12/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyTXTDRZMXOBTOLQ-NSHDSACASA-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

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide
CID 60794861
3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787497
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 2236745
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-iodobenzamide
CID 95356346
2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873
4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390616
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide (CID 7719108) is 3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1[C@H](C)NC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is TXTDRZMXOBTOLQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16INO2/c1-11(14-8-3-4-9-15(14)20-2)18-16(19)12-6-5-7-13(17)10-12/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide?
3-iodo-N-[(1S)-1-(2-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 3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 7719108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).