N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide

C15H13BrINO — CID 26085546

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
SMILESC[C@@H](NC(=O)c1ccccc1I)c1ccccc1Br
InChIInChI=1S/C15H13BrINO/c1-10(11-6-2-4-8-13(11)16)18-15(19)12-7-3-5-9-14(12)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyRCMYRHHMMWKNFX-SNVBAGLBSA-N
MW430.08 g/mol
LogP4.54
Rot. Bonds3

About N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide

N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide (PubChem CID 26085546) has the molecular formula C15H13BrINO and a molecular weight of 430.08 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
PubChem CID26085546
Molecular FormulaC15H13BrINO
Molecular Weight430.08 g/mol
Exact Mass428.92
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
SMILESC[C@@H](NC(=O)c1ccccc1I)c1ccccc1Br
InChIInChI=1S/C15H13BrINO/c1-10(11-6-2-4-8-13(11)16)18-15(19)12-7-3-5-9-14(12)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyRCMYRHHMMWKNFX-SNVBAGLBSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.08
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
CID 60706338
N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 51530681
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
CID 47442999
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255
2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide
CID 107074317
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide (CID 26085546) is N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide is C[C@@H](NC(=O)c1ccccc1I)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide?
The InChIKey is RCMYRHHMMWKNFX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13BrINO/c1-10(11-6-2-4-8-13(11)16)18-15(19)12-7-3-5-9-14(12)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide?
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide has a molecular weight of 430.08 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 26085546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).