2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide

C6H9BrF2N2O2 — CID 130710592

IUPAC2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)C(F)(F)Br
InChIInChI=1S/C6H9BrF2N2O2/c1-3(4(12)10-2)11-5(13)6(7,8)9/h3H,1-2H3,(H,10,12)(H,11,13)
InChIKeyGPEQRMXPKNBLKK-UHFFFAOYSA-N
MW259.05 g/mol
LogP0.22
Rot. Bonds3

About 2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide

2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide (PubChem CID 130710592) has the molecular formula C6H9BrF2N2O2 and a molecular weight of 259.05 g/mol. Its IUPAC name is 2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide
PubChem CID130710592
Molecular FormulaC6H9BrF2N2O2
Molecular Weight259.05 g/mol
Exact Mass257.98
IUPAC Name2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)C(F)(F)Br
InChIInChI=1S/C6H9BrF2N2O2/c1-3(4(12)10-2)11-5(13)6(7,8)9/h3H,1-2H3,(H,10,12)(H,11,13)
InChIKeyGPEQRMXPKNBLKK-UHFFFAOYSA-N
XLogP0.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 130683456
2-(2-bromopropanoylamino)-N-methylpropanamide
CID 107904965
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653
2-(chloroamino)-N-methylpropanamide
CID 19827989
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
N-methyl-2-(methylcarbamothioylamino)propanamide
CID 115588003
2,3-dimethyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobut-2-enoic acid
CID 76993196
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103908193
3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 62232320

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide (CID 130710592) is 2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide is CNC(=O)C(C)NC(=O)C(F)(F)Br.
What is the InChIKey of 2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide?
The InChIKey is GPEQRMXPKNBLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrF2N2O2/c1-3(4(12)10-2)11-5(13)6(7,8)9/h3H,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide?
2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide has a molecular weight of 259.05 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide is sourced from PubChem (CID 130710592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).