2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide

C13H10BrFN2O — CID 103789943

IUPAC2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc(F)nc1
InChIInChI=1S/C13H10BrFN2O/c14-10-3-1-9(2-4-10)7-13(18)17-11-5-6-12(15)16-8-11/h1-6,8H,7H2,(H,17,18)
InChIKeyZGFNGJJUVHHXEV-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.16
Rot. Bonds3

About 2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide

2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide (PubChem CID 103789943) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide
PubChem CID103789943
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc(F)nc1
InChIInChI=1S/C13H10BrFN2O/c14-10-3-1-9(2-4-10)7-13(18)17-11-5-6-12(15)16-8-11/h1-6,8H,7H2,(H,17,18)
InChIKeyZGFNGJJUVHHXEV-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338937
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
2-(4-bromophenyl)-N-[6-(dipropylamino)-3-pyridinyl]acetamide
CID 113015729
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 114052733
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide
CID 113016501
2-(4-bromophenyl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]acetamide
CID 113023353
N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide
CID 103789664
2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide
CID 115274693
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide (CID 103789943) is 2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1ccc(F)nc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide?
The InChIKey is ZGFNGJJUVHHXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c14-10-3-1-9(2-4-10)7-13(18)17-11-5-6-12(15)16-8-11/h1-6,8H,7H2,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide?
2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide has a molecular weight of 309.14 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide is sourced from PubChem (CID 103789943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).