2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide

C12H14BrF2NO — CID 114327764

IUPAC2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Br)c1cc(F)ccc1F
InChIInChI=1S/C12H14BrF2NO/c1-7(16-11(17)12(2,3)13)9-6-8(14)4-5-10(9)15/h4-7H,1-3H3,(H,16,17)
InChIKeySVTRMDMYYBZLNB-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.32
Rot. Bonds3

About 2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide

2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide (PubChem CID 114327764) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide
PubChem CID114327764
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Br)c1cc(F)ccc1F
InChIInChI=1S/C12H14BrF2NO/c1-7(16-11(17)12(2,3)13)9-6-8(14)4-5-10(9)15/h4-7H,1-3H3,(H,16,17)
InChIKeySVTRMDMYYBZLNB-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 55126066
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195587
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 79025345
3-bromo-N-[1-(2,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852163
N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62852524
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 138690058
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732061

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide (CID 114327764) is 2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide is CC(NC(=O)C(C)(C)Br)c1cc(F)ccc1F.
What is the InChIKey of 2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide?
The InChIKey is SVTRMDMYYBZLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c1-7(16-11(17)12(2,3)13)9-6-8(14)4-5-10(9)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide?
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide has a molecular weight of 306.15 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 114327764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).