2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide

C13H16F2INO — CID 107859944

IUPAC2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CI)NC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C13H16F2INO/c1-8(2)12(7-16)17-13(18)6-9-10(14)4-3-5-11(9)15/h3-5,8,12H,6-7H2,1-2H3,(H,17,18)
InChIKeyCMROATXDSJNNBB-UHFFFAOYSA-N
MW367.18 g/mol
LogP3.08
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide

2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide (PubChem CID 107859944) has the molecular formula C13H16F2INO and a molecular weight of 367.18 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
PubChem CID107859944
Molecular FormulaC13H16F2INO
Molecular Weight367.18 g/mol
Exact Mass367.02
IUPAC Name2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CI)NC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C13H16F2INO/c1-8(2)12(7-16)17-13(18)6-9-10(14)4-3-5-11(9)15/h3-5,8,12H,6-7H2,1-2H3,(H,17,18)
InChIKeyCMROATXDSJNNBB-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.18
LogP ≤ 53.08
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

N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide
CID 114390036
2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859993
2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107860027
2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859798
2-(2-chloro-6-fluorophenyl)-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
CID 129418206
N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide
CID 114307818
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]pentanoic acid
CID 107562809
N-(1-iodo-3-methylbutan-2-yl)propanamide
CID 107860016
3-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-2-methylbenzamide
CID 107859822
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822798
N-(1-iodo-3-methylbutan-2-yl)-3-(3-methylphenoxy)propanamide
CID 107860093
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide (CID 107859944) is 2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide is CC(C)C(CI)NC(=O)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide?
The InChIKey is CMROATXDSJNNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2INO/c1-8(2)12(7-16)17-13(18)6-9-10(14)4-3-5-11(9)15/h3-5,8,12H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide?
2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide has a molecular weight of 367.18 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 107859944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).