2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

C14H13BrFN3O — CID 146022543

IUPAC2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)Cc2cccc(Br)c2F)n1
InChIInChI=1S/C14H13BrFN3O/c1-8-6-9(2)18-14(17-8)19-12(20)7-10-4-3-5-11(15)13(10)16/h3-6H,7H2,1-2H3,(H,17,18,19,20)
InChIKeyXTTHMXZBSLTUQF-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.18
Rot. Bonds3

About 2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 146022543) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID146022543
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)Cc2cccc(Br)c2F)n1
InChIInChI=1S/C14H13BrFN3O/c1-8-6-9(2)18-14(17-8)19-12(20)7-10-4-3-5-11(15)13(10)16/h3-6H,7H2,1-2H3,(H,17,18,19,20)
InChIKeyXTTHMXZBSLTUQF-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide
CID 146022541
2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 81317594
N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide
CID 167788312
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107953809
2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 146022567
N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
CID 3309967
2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 146025161
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 167947878
N'-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-N-(4-fluorophenyl)butanediamide
CID 108768464
N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107688990

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (CID 146022543) is 2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is Cc1cc(C)nc(NC(=O)Cc2cccc(Br)c2F)n1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is XTTHMXZBSLTUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-8-6-9(2)18-14(17-8)19-12(20)7-10-4-3-5-11(15)13(10)16/h3-6H,7H2,1-2H3,(H,17,18,19,20).
What are the key properties of 2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 338.18 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 146022543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).