2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide

C13H17BrINO — CID 107860027

IUPAC2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CI)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H17BrINO/c1-9(2)12(8-15)16-13(17)7-10-3-5-11(14)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)
InChIKeyXCGWKJRUUDWUAH-UHFFFAOYSA-N
MW410.09 g/mol
LogP3.57
Rot. Bonds5

About 2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide

2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide (PubChem CID 107860027) has the molecular formula C13H17BrINO and a molecular weight of 410.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
PubChem CID107860027
Molecular FormulaC13H17BrINO
Molecular Weight410.09 g/mol
Exact Mass408.95
IUPAC Name2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CI)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H17BrINO/c1-9(2)12(8-15)16-13(17)7-10-3-5-11(14)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)
InChIKeyXCGWKJRUUDWUAH-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.09
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide
CID 114310589
(3R)-3-[[2-(4-bromophenyl)acetyl]amino]butanoic acid
CID 93262777
2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
CID 112789358
2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107859944
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
(4-bromophenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848053
3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide
CID 103820505
N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65192905
N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide
CID 106354844
N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 106355026

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide (CID 107860027) is 2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide is CC(C)C(CI)NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide?
The InChIKey is XCGWKJRUUDWUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrINO/c1-9(2)12(8-15)16-13(17)7-10-3-5-11(14)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide?
2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide has a molecular weight of 410.09 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 107860027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).