N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide

C12H14BrFN2O2 — CID 56821910

IUPACN-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide
SMILESCN(CC(N)=O)C(=O)CCc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O2/c1-16(7-11(15)17)12(18)5-3-8-2-4-9(13)6-10(8)14/h2,4,6H,3,5,7H2,1H3,(H2,15,17)
InChIKeyHZUDPCOJAXNCEP-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.46
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide

N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide (PubChem CID 56821910) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide
PubChem CID56821910
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC NameN-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide
SMILESCN(CC(N)=O)C(=O)CCc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O2/c1-16(7-11(15)17)12(18)5-3-8-2-4-9(13)6-10(8)14/h2,4,6H,3,5,7H2,1H3,(H2,15,17)
InChIKeyHZUDPCOJAXNCEP-UHFFFAOYSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one
CID 43438813
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one
CID 43438809
3-[[N-[3-(4-bromo-2-fluorophenyl)propyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111604248
3-(4-bromo-2-fluorophenyl)-N-prop-2-ynylpropanamide
CID 47468902
2-[3-(2,5-difluorophenyl)propanoyl-methylamino]acetic acid
CID 119171811
N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide
CID 56819418
3-(4-bromo-2-fluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide
CID 86798562
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
CID 104513020
4-[[3-(4-bromo-2-fluorophenyl)propanoylamino]methyl]benzamide
CID 51127668
1-(4-bromo-2-fluorophenyl)-4-(methylamino)butan-2-one
CID 116561217
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide (CID 56821910) is N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide is CN(CC(N)=O)C(=O)CCc1ccc(Br)cc1F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide?
The InChIKey is HZUDPCOJAXNCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c1-16(7-11(15)17)12(18)5-3-8-2-4-9(13)6-10(8)14/h2,4,6H,3,5,7H2,1H3,(H2,15,17).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide?
N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide has a molecular weight of 317.16 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(4-bromo-2-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 56821910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).