N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide

C10H13BrF5NO2 — CID 114038298

IUPACN-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(=O)CBr)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13BrF5NO2/c1-6(2)4-17(5-7(18)3-11)8(19)9(12,13)10(14,15)16/h6H,3-5H2,1-2H3
InChIKeyVSRRHHIRASLGJB-UHFFFAOYSA-N
MW354.11 g/mol
LogP2.63
Rot. Bonds6

About N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide

N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide (PubChem CID 114038298) has the molecular formula C10H13BrF5NO2 and a molecular weight of 354.11 g/mol. Its IUPAC name is N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide
PubChem CID114038298
Molecular FormulaC10H13BrF5NO2
Molecular Weight354.11 g/mol
Exact Mass353.00
IUPAC NameN-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(=O)CBr)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13BrF5NO2/c1-6(2)4-17(5-7(18)3-11)8(19)9(12,13)10(14,15)16/h6H,3-5H2,1-2H3
InChIKeyVSRRHHIRASLGJB-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.11
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2-oxopropyl)-N-(2-methylpropyl)acetamide
CID 104701294
2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide
CID 71671754
N-(4-bromo-3-oxobutyl)-2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide
CID 114038289
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide
CID 114033006
2,2,2-trifluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63374882
N-(2-methylpropyl)-N-prop-1-en-2-ylacetamide
CID 166860260
2,2,3,3-tetrafluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103733287
N,N-bis(2-methylpropyl)-2-oxopropanamide
CID 10910517
2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 79805335
2-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871893
3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 65269424

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide?
The IUPAC name of N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide (CID 114038298) is N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide is CC(C)CN(CC(=O)CBr)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide?
The InChIKey is VSRRHHIRASLGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF5NO2/c1-6(2)4-17(5-7(18)3-11)8(19)9(12,13)10(14,15)16/h6H,3-5H2,1-2H3.
What are the key properties of N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide?
N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide has a molecular weight of 354.11 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 114038298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).