5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide

C16H15BrINO4 — CID 34749976

IUPAC5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(Br)ccc2I)cc(OC)c1OC
InChIInChI=1S/C16H15BrINO4/c1-21-13-7-10(8-14(22-2)15(13)23-3)19-16(20)11-6-9(17)4-5-12(11)18/h4-8H,1-3H3,(H,19,20)
InChIKeyQCBJRKZLEMHAER-UHFFFAOYSA-N
MW492.11 g/mol
LogP4.33
Rot. Bonds5

About 5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide

5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 34749976) has the molecular formula C16H15BrINO4 and a molecular weight of 492.11 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID34749976
Molecular FormulaC16H15BrINO4
Molecular Weight492.11 g/mol
Exact Mass490.92
IUPAC Name5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(Br)ccc2I)cc(OC)c1OC
InChIInChI=1S/C16H15BrINO4/c1-21-13-7-10(8-14(22-2)15(13)23-3)19-16(20)11-6-9(17)4-5-12(11)18/h4-8H,1-3H3,(H,19,20)
InChIKeyQCBJRKZLEMHAER-UHFFFAOYSA-N
XLogP4.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.11
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
CID 114033240
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
2-iodo-5-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid
CID 2974192
5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
CID 78783688
5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
CID 34845392
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508
3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 3452845
2-bromo-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 117087526
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide (CID 34749976) is 5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2cc(Br)ccc2I)cc(OC)c1OC.
What is the InChIKey of 5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is QCBJRKZLEMHAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrINO4/c1-21-13-7-10(8-14(22-2)15(13)23-3)19-16(20)11-6-9(17)4-5-12(11)18/h4-8H,1-3H3,(H,19,20).
What are the key properties of 5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide?
5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 492.11 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 34749976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).