2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide

C12H16BrIN2O — CID 103994631

IUPAC2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
SMILESCC(CNC(=O)c1cc(I)ccc1Br)N(C)C
InChIInChI=1S/C12H16BrIN2O/c1-8(16(2)3)7-15-12(17)10-6-9(14)4-5-11(10)13/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyYDSLMHGKLSXFIW-UHFFFAOYSA-N
MW411.08 g/mol
LogP2.73
Rot. Bonds4

About 2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide

2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide (PubChem CID 103994631) has the molecular formula C12H16BrIN2O and a molecular weight of 411.08 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
PubChem CID103994631
Molecular FormulaC12H16BrIN2O
Molecular Weight411.08 g/mol
Exact Mass409.95
IUPAC Name2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
SMILESCC(CNC(=O)c1cc(I)ccc1Br)N(C)C
InChIInChI=1S/C12H16BrIN2O/c1-8(16(2)3)7-15-12(17)10-6-9(14)4-5-11(10)13/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyYDSLMHGKLSXFIW-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.08
LogP ≤ 52.73
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-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
CID 106157956
N-(2-amino-2-ethylbutyl)-2-bromo-5-iodobenzamide
CID 114026196
2-bromo-5-iodobenzohydrazide
CID 3623021
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
methyl 3-[(2-bromo-5-iodobenzoyl)amino]butanoate
CID 113362958
2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 103995696
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707
2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103995758
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
CID 114125614

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide (CID 103994631) is 2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide is CC(CNC(=O)c1cc(I)ccc1Br)N(C)C.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide?
The InChIKey is YDSLMHGKLSXFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrIN2O/c1-8(16(2)3)7-15-12(17)10-6-9(14)4-5-11(10)13/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of 2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide?
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide has a molecular weight of 411.08 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide is sourced from PubChem (CID 103994631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).