2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide

C11H12BrIN2O2 — CID 103995758

IUPAC2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cc(I)ccc1Br
InChIInChI=1S/C11H12BrIN2O2/c1-14-10(16)4-5-15-11(17)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyWTAKYMUFMPPFIM-UHFFFAOYSA-N
MW411.04 g/mol
LogP1.92
Rot. Bonds4

About 2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide

2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 103995758) has the molecular formula C11H12BrIN2O2 and a molecular weight of 411.04 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID103995758
Molecular FormulaC11H12BrIN2O2
Molecular Weight411.04 g/mol
Exact Mass409.91
IUPAC Name2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cc(I)ccc1Br
InChIInChI=1S/C11H12BrIN2O2/c1-14-10(16)4-5-15-11(17)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyWTAKYMUFMPPFIM-UHFFFAOYSA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.04
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113363621
N-(4-amino-4-sulfanylidenebutyl)-2-bromo-5-iodobenzamide
CID 114027669
2-bromo-N-but-3-ynyl-5-iodobenzamide
CID 103989976
2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
CID 106157956
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624
2-bromo-5-iodobenzohydrazide
CID 3623021
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
CID 114139345
2-bromo-5-iodo-N-(2-phenoxyethyl)benzamide
CID 103988921
2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 114372816
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
CID 103994631
N-(2-amino-2-ethylbutyl)-2-bromo-5-iodobenzamide
CID 114026196
2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 113362373

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 103995758) is 2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCNC(=O)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is WTAKYMUFMPPFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrIN2O2/c1-14-10(16)4-5-15-11(17)8-6-7(13)2-3-9(8)12/h2-3,6H,4-5H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide?
2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 411.04 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 103995758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).