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

C10H12BrIN2O — CID 103806278

IUPAC5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C10H12BrIN2O/c1-13-4-5-14-10(15)8-6-7(11)2-3-9(8)12/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeyRZSPQDMMAZDVCB-UHFFFAOYSA-N
MW383.03 g/mol
LogP2.00
Rot. Bonds4

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

5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide (PubChem CID 103806278) has the molecular formula C10H12BrIN2O and a molecular weight of 383.03 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
PubChem CID103806278
Molecular FormulaC10H12BrIN2O
Molecular Weight383.03 g/mol
Exact Mass381.92
IUPAC Name5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C10H12BrIN2O/c1-13-4-5-14-10(15)8-6-7(11)2-3-9(8)12/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeyRZSPQDMMAZDVCB-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.03
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
4-[(5-bromo-2-iodobenzoyl)amino]butanoic acid
CID 43239229
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
5-bromo-2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 113258386
5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
CID 103600067
5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide
CID 35613683
5-bromo-N-(2-ethylbutyl)-2-iodobenzamide
CID 115612616
N-[2-(4-aminophenyl)ethyl]-5-bromo-2-iodobenzamide
CID 103806709
5-bromo-2-iodo-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106325742
3-[(5-bromo-2-iodobenzoyl)amino]-2-methylpropanoic acid
CID 55105447

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide (CID 103806278) is 5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide is CNCCNC(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is RZSPQDMMAZDVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrIN2O/c1-13-4-5-14-10(15)8-6-7(11)2-3-9(8)12/h2-3,6,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide?
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 383.03 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 103806278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).