2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide

C11H13BrFNO2 — CID 78905509

IUPAC2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)NC(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-7(6-15)14-11(16)5-8-2-3-10(13)9(12)4-8/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyCGJOJYKWECAULC-UHFFFAOYSA-N
MW290.13 g/mol
LogP1.63
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide

2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 78905509) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID78905509
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)NC(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-7(6-15)14-11(16)5-8-2-3-10(13)9(12)4-8/h2-4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyCGJOJYKWECAULC-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid
CID 119225524
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]butanamide;hydrochloride
CID 119814244
3-amino-1-(3-bromo-4-fluorophenyl)butan-2-one
CID 116551731
2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43467343
7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride
CID 119814208
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
1-(3-bromo-4-fluorophenyl)-3-methylhexan-2-one
CID 114964774
N'-[2-(3-bromo-4-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 55857189
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
CID 119384307
4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120593966

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide (CID 78905509) is 2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide is CC(CO)NC(=O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is CGJOJYKWECAULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-7(6-15)14-11(16)5-8-2-3-10(13)9(12)4-8/h2-4,7,15H,5-6H2,1H3,(H,14,16).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide?
2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 290.13 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 78905509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).