2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide

C12H15BrINO2 — CID 103995696

IUPAC2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1cc(I)ccc1Br
InChIInChI=1S/C12H15BrINO2/c1-8(7-17-3)15(2)12(16)10-6-9(14)4-5-11(10)13/h4-6,8H,7H2,1-3H3
InChIKeyUHBJRPIWYWVOJR-UHFFFAOYSA-N
MW412.07 g/mol
LogP3.16
Rot. Bonds4

About 2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide

2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide (PubChem CID 103995696) has the molecular formula C12H15BrINO2 and a molecular weight of 412.07 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
PubChem CID103995696
Molecular FormulaC12H15BrINO2
Molecular Weight412.07 g/mol
Exact Mass410.93
IUPAC Name2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1cc(I)ccc1Br
InChIInChI=1S/C12H15BrINO2/c1-8(7-17-3)15(2)12(16)10-6-9(14)4-5-11(10)13/h4-6,8H,7H2,1-3H3
InChIKeyUHBJRPIWYWVOJR-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.07
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 113224185
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
CID 103994631
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 106501519
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 55135434
2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
CID 106157956
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 62236996
2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide
CID 61109501
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide (CID 103995696) is 2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide is COCC(C)N(C)C(=O)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The InChIKey is UHBJRPIWYWVOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrINO2/c1-8(7-17-3)15(2)12(16)10-6-9(14)4-5-11(10)13/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide has a molecular weight of 412.07 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 103995696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).