2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide

C12H16BrFN2O — CID 81436324

IUPAC2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNC(C(N)=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O/c1-7(2)6-16-11(12(15)17)8-3-4-9(13)10(14)5-8/h3-5,7,11,16H,6H2,1-2H3,(H2,15,17)
InChIKeyWACCHERVQUIZTM-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide

2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide (PubChem CID 81436324) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide
PubChem CID81436324
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNC(C(N)=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O/c1-7(2)6-16-11(12(15)17)8-3-4-9(13)10(14)5-8/h3-5,7,11,16H,6H2,1-2H3,(H2,15,17)
InChIKeyWACCHERVQUIZTM-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide
CID 81436090
2-(4-chlorophenyl)-2-(2-methylpropylamino)acetamide
CID 60995659
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 81441071
2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305
2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide
CID 54891273
methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate
CID 81437181
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
CID 81437584
methyl 2-(4-bromo-3-fluorophenyl)-2-(butan-2-ylamino)acetate
CID 81436887
2-(4-ethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891036
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)acetamide
CID 105378874
2-(3,5-dimethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891131
1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 81442005

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide (CID 81436324) is 2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide is CC(C)CNC(C(N)=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide?
The InChIKey is WACCHERVQUIZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-7(2)6-16-11(12(15)17)8-3-4-9(13)10(14)5-8/h3-5,7,11,16H,6H2,1-2H3,(H2,15,17).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide?
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide has a molecular weight of 303.18 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 81436324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).