2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide

C13H16BrF2NO — CID 114328026

IUPAC2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)C(C)(C)Br
InChIInChI=1S/C13H16BrF2NO/c1-8(17-12(18)13(2,3)14)7-9-10(15)5-4-6-11(9)16/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyFXJNOFZWBPNNNY-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.19
Rot. Bonds4

About 2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide

2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide (PubChem CID 114328026) has the molecular formula C13H16BrF2NO and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
PubChem CID114328026
Molecular FormulaC13H16BrF2NO
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)C(C)(C)Br
InChIInChI=1S/C13H16BrF2NO/c1-8(17-12(18)13(2,3)14)7-9-10(15)5-4-6-11(9)16/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyFXJNOFZWBPNNNY-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.19
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

1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780
(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012346
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
CID 62837413
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693
3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide
CID 61103749
N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide
CID 55819647
1-[1-(2,6-difluorophenyl)propan-2-yl]-3-(4,4,4-trifluoro-3-hydroxybutyl)urea
CID 56793700
2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide
CID 81083554
1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81486715

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide (CID 114328026) is 2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide is CC(Cc1c(F)cccc1F)NC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide?
The InChIKey is FXJNOFZWBPNNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO/c1-8(17-12(18)13(2,3)14)7-9-10(15)5-4-6-11(9)16/h4-6,8H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide?
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide has a molecular weight of 320.18 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 114328026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).