3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide

C16H16INO2 — CID 104627455

IUPAC3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C16H16INO2/c1-11-4-2-3-5-12(11)8-9-18-16(20)13-6-7-14(17)15(19)10-13/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyDFXKAGFZWOYYQP-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.28
Rot. Bonds4

About 3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide

3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide (PubChem CID 104627455) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide
PubChem CID104627455
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C16H16INO2/c1-11-4-2-3-5-12(11)8-9-18-16(20)13-6-7-14(17)15(19)10-13/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyDFXKAGFZWOYYQP-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79749765
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657
N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999158
4-hydroxy-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103865108
5-hydroxy-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78953956
3-carbamothioyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79754667
N-[2-(2-methylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18114578
N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
CID 104628255
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide (CID 104627455) is 3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1CCNC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide?
The InChIKey is DFXKAGFZWOYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-11-4-2-3-5-12(11)8-9-18-16(20)13-6-7-14(17)15(19)10-13/h2-7,10,19H,8-9H2,1H3,(H,18,20).
What are the key properties of 3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide?
3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide has a molecular weight of 381.21 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 104627455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).