N-(2-bromo-3-methoxypropyl)-3-iodobenzamide

C11H13BrINO2 — CID 114310082

IUPACN-(2-bromo-3-methoxypropyl)-3-iodobenzamide
SMILESCOCC(Br)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C11H13BrINO2/c1-16-7-9(12)6-14-11(15)8-3-2-4-10(13)5-8/h2-5,9H,6-7H2,1H3,(H,14,15)
InChIKeyDNOGAYZUKZQDBN-UHFFFAOYSA-N
MW398.04 g/mol
LogP2.43
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-3-iodobenzamide

N-(2-bromo-3-methoxypropyl)-3-iodobenzamide (PubChem CID 114310082) has the molecular formula C11H13BrINO2 and a molecular weight of 398.04 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-3-iodobenzamide
PubChem CID114310082
Molecular FormulaC11H13BrINO2
Molecular Weight398.04 g/mol
Exact Mass396.92
IUPAC NameN-(2-bromo-3-methoxypropyl)-3-iodobenzamide
SMILESCOCC(Br)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C11H13BrINO2/c1-16-7-9(12)6-14-11(15)8-3-2-4-10(13)5-8/h2-5,9H,6-7H2,1H3,(H,14,15)
InChIKeyDNOGAYZUKZQDBN-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.04
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylpentyl)-3-iodobenzamide
CID 107157571
N-(2-bromopropyl)-3-iodobenzamide
CID 114308846
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide
CID 114310033
N-(2-bromo-3-methoxypropyl)-4-ethylbenzamide
CID 114309833
N-(2-bromo-3-methoxypropyl)-1,3-benzodioxole-5-carboxamide
CID 114309908
N-(2-amino-3-hydroxybutyl)-3-iodobenzamide
CID 64539149
N-(4-chloro-2-methylbutyl)-3-iodobenzamide
CID 114306257
methyl 4-[2-[(3-iodobenzoyl)amino]acetyl]benzoate
CID 58804838
N-(3-bromo-4-methoxybutyl)-3-methoxybenzamide
CID 114163322
N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide
CID 114309984
3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602369

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-3-iodobenzamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-3-iodobenzamide (CID 114310082) is N-(2-bromo-3-methoxypropyl)-3-iodobenzamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-3-iodobenzamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-3-iodobenzamide is COCC(Br)CNC(=O)c1cccc(I)c1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-3-iodobenzamide?
The InChIKey is DNOGAYZUKZQDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrINO2/c1-16-7-9(12)6-14-11(15)8-3-2-4-10(13)5-8/h2-5,9H,6-7H2,1H3,(H,14,15).
What are the key properties of N-(2-bromo-3-methoxypropyl)-3-iodobenzamide?
N-(2-bromo-3-methoxypropyl)-3-iodobenzamide has a molecular weight of 398.04 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-3-iodobenzamide is sourced from PubChem (CID 114310082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).