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

C12H14BrIN2O2 — CID 113363621

IUPAC2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1cc(I)ccc1Br
InChIInChI=1S/C12H14BrIN2O2/c1-15-11(17)5-6-16(2)12(18)9-7-8(14)3-4-10(9)13/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyKAIIDVWGTZHQOF-UHFFFAOYSA-N
MW425.06 g/mol
LogP2.26
Rot. Bonds4

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

2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 113363621) has the molecular formula C12H14BrIN2O2 and a molecular weight of 425.06 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID113363621
Molecular FormulaC12H14BrIN2O2
Molecular Weight425.06 g/mol
Exact Mass423.93
IUPAC Name2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1cc(I)ccc1Br
InChIInChI=1S/C12H14BrIN2O2/c1-15-11(17)5-6-16(2)12(18)9-7-8(14)3-4-10(9)13/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyKAIIDVWGTZHQOF-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.06
LogP ≤ 52.26
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

2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103995758
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732592
2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43216100
2-bromo-N-[(3-hydroxycyclobutyl)methyl]-5-iodo-N-methylbenzamide
CID 102808059
2-bromo-N-[(3-bromocyclobutyl)methyl]-5-iodo-N-methylbenzamide
CID 114026531
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349
N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106916885
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
CID 103994631
3-hydroxy-4-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 104628237
5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913729

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 113363621) is 2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCN(C)C(=O)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is KAIIDVWGTZHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrIN2O2/c1-15-11(17)5-6-16(2)12(18)9-7-8(14)3-4-10(9)13/h3-4,7H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 425.06 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 113363621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).