2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide

C12H9BrFN3O — CID 146022541

IUPAC2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide
SMILESO=C(Cc1cccc(Br)c1F)Nc1ncccn1
InChIInChI=1S/C12H9BrFN3O/c13-9-4-1-3-8(11(9)14)7-10(18)17-12-15-5-2-6-16-12/h1-6H,7H2,(H,15,16,17,18)
InChIKeyMIQRLGLWQWWWTN-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.56
Rot. Bonds3

About 2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide

2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide (PubChem CID 146022541) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide
PubChem CID146022541
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC Name2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide
SMILESO=C(Cc1cccc(Br)c1F)Nc1ncccn1
InChIInChI=1S/C12H9BrFN3O/c13-9-4-1-3-8(11(9)14)7-10(18)17-12-15-5-2-6-16-12/h1-6H,7H2,(H,15,16,17,18)
InChIKeyMIQRLGLWQWWWTN-UHFFFAOYSA-N
XLogP2.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 146022543
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
2-phenyl-N-pyrimidin-2-ylacetamide
CID 3423290
2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 146022567
3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid
CID 165497152
2-(3-bromo-2-fluorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 146022701
2-[(2'R,4S)-6-bromo-2',5-difluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl]-N-pyrimidin-2-ylacetamide
CID 163371966
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 146025161
N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide
CID 82862460
2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate
CID 175051182

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide (CID 146022541) is 2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide is O=C(Cc1cccc(Br)c1F)Nc1ncccn1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide?
The InChIKey is MIQRLGLWQWWWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c13-9-4-1-3-8(11(9)14)7-10(18)17-12-15-5-2-6-16-12/h1-6H,7H2,(H,15,16,17,18).
What are the key properties of 2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide?
2-(3-bromo-2-fluorophenyl)-N-pyrimidin-2-ylacetamide has a molecular weight of 310.13 g/mol, XLogP of 2.56, 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-pyrimidin-2-ylacetamide is sourced from PubChem (CID 146022541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).