2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide

C12H16BrFN2O — CID 47454033

IUPAC2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O/c1-8(2)16(7-12(15)17)6-9-5-10(13)3-4-11(9)14/h3-5,8H,6-7H2,1-2H3,(H2,15,17)
InChIKeyAUZXIXWXKJMJNY-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.28
Rot. Bonds5

About 2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide

2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide (PubChem CID 47454033) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide
PubChem CID47454033
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O/c1-8(2)16(7-12(15)17)6-9-5-10(13)3-4-11(9)14/h3-5,8H,6-7H2,1-2H3,(H2,15,17)
InChIKeyAUZXIXWXKJMJNY-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide (CID 47454033) is 2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide?
The InChIKey is AUZXIXWXKJMJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-8(2)16(7-12(15)17)6-9-5-10(13)3-4-11(9)14/h3-5,8H,6-7H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide?
2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide has a molecular weight of 303.18 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 47454033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).