N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide

C15H13BrINO — CID 95356863

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
SMILESC[C@@H](NC(=O)c1cccc(I)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrINO/c1-10(11-5-7-13(16)8-6-11)18-15(19)12-3-2-4-14(17)9-12/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyFRVQLUKKCKYVDC-SNVBAGLBSA-N
MW430.08 g/mol
LogP4.54
Rot. Bonds3

About N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide

N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide (PubChem CID 95356863) has the molecular formula C15H13BrINO and a molecular weight of 430.08 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
PubChem CID95356863
Molecular FormulaC15H13BrINO
Molecular Weight430.08 g/mol
Exact Mass428.92
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
SMILESC[C@@H](NC(=O)c1cccc(I)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrINO/c1-10(11-5-7-13(16)8-6-11)18-15(19)12-3-2-4-14(17)9-12/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyFRVQLUKKCKYVDC-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

N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 2236745
3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
CID 47004737
3-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
CID 26072551
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733491
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide (CID 95356863) is N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide is C[C@@H](NC(=O)c1cccc(I)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide?
The InChIKey is FRVQLUKKCKYVDC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13BrINO/c1-10(11-5-7-13(16)8-6-11)18-15(19)12-3-2-4-14(17)9-12/h2-10H,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-3-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-(4-bromophenyl)ethyl]-3-iodobenzamide is sourced from PubChem (CID 95356863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).