5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

C17H17BrINO2 — CID 35860687

IUPAC5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C17H17BrINO2/c1-11-3-6-16(22-2)12(9-11)7-8-20-17(21)14-10-13(18)4-5-15(14)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyQQYPGENNOVRVRA-UHFFFAOYSA-N
MW474.14 g/mol
LogP4.34
Rot. Bonds5

About 5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 35860687) has the molecular formula C17H17BrINO2 and a molecular weight of 474.14 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID35860687
Molecular FormulaC17H17BrINO2
Molecular Weight474.14 g/mol
Exact Mass472.95
IUPAC Name5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C17H17BrINO2/c1-11-3-6-16(22-2)12(9-11)7-8-20-17(21)14-10-13(18)4-5-15(14)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyQQYPGENNOVRVRA-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.14
LogP ≤ 54.34
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

5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
3-bromo-4-hydroxy-5-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 24550494
4-bromo-N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 40659095
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide
CID 35613683
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41309125
2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 103882028

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 35860687) is 5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1CCNC(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is QQYPGENNOVRVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrINO2/c1-11-3-6-16(22-2)12(9-11)7-8-20-17(21)14-10-13(18)4-5-15(14)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 474.14 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 35860687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).