N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide

C15H13BrINO — CID 42906427

IUPACN-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
SMILESCC(NC(=O)c1ccccc1I)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrINO/c1-10(11-6-8-12(16)9-7-11)18-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,18,19)
InChIKeyNZSHAERJIDVGNC-UHFFFAOYSA-N
MW430.08 g/mol
LogP4.54
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide

N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide (PubChem CID 42906427) has the molecular formula C15H13BrINO and a molecular weight of 430.08 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
PubChem CID42906427
Molecular FormulaC15H13BrINO
Molecular Weight430.08 g/mol
Exact Mass428.92
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
SMILESCC(NC(=O)c1ccccc1I)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrINO/c1-10(11-6-8-12(16)9-7-11)18-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,18,19)
InChIKeyNZSHAERJIDVGNC-UHFFFAOYSA-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-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-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
N-[(1S)-1-(4-bromophenyl)ethyl]-2-iodo-3-methylbenzamide
CID 39708887
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-iodobenzamide
CID 60674615
N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 80718780
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
CID 43297726
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide (CID 42906427) is N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide is CC(NC(=O)c1ccccc1I)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide?
The InChIKey is NZSHAERJIDVGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrINO/c1-10(11-6-8-12(16)9-7-11)18-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide?
N-[1-(4-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-[1-(4-bromophenyl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 42906427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).