2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide

C14H12BrFN2O — CID 66719143

IUPAC2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(Br)cn1)NCc1cccc(F)c1
InChIInChI=1S/C14H12BrFN2O/c15-11-4-5-13(17-9-11)7-14(19)18-8-10-2-1-3-12(16)6-10/h1-6,9H,7-8H2,(H,18,19)
InChIKeyQBUSAXWWJFZQTM-UHFFFAOYSA-N
MW323.17 g/mol
LogP2.84
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide

2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 66719143) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID66719143
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(Br)cn1)NCc1cccc(F)c1
InChIInChI=1S/C14H12BrFN2O/c15-11-4-5-13(17-9-11)7-14(19)18-8-10-2-1-3-12(16)6-10/h1-6,9H,7-8H2,(H,18,19)
InChIKeyQBUSAXWWJFZQTM-UHFFFAOYSA-N
XLogP2.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 52.84
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-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide (CID 66719143) is 2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide is O=C(Cc1ccc(Br)cn1)NCc1cccc(F)c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is QBUSAXWWJFZQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-11-4-5-13(17-9-11)7-14(19)18-8-10-2-1-3-12(16)6-10/h1-6,9H,7-8H2,(H,18,19).
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide?
2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 323.17 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 66719143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).