2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide

C14H13BrFN3O — CID 115274693

IUPAC2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide
SMILESCNc1ccc(NC(=O)Cc2cc(Br)ccc2F)cn1
InChIInChI=1S/C14H13BrFN3O/c1-17-13-5-3-11(8-18-13)19-14(20)7-9-6-10(15)2-4-12(9)16/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyNSFDLSASQKBZPK-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.21
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide

2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide (PubChem CID 115274693) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide
PubChem CID115274693
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide
SMILESCNc1ccc(NC(=O)Cc2cc(Br)ccc2F)cn1
InChIInChI=1S/C14H13BrFN3O/c1-17-13-5-3-11(8-18-13)19-14(20)7-9-6-10(15)2-4-12(9)16/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyNSFDLSASQKBZPK-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide (CID 115274693) is 2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide is CNc1ccc(NC(=O)Cc2cc(Br)ccc2F)cn1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide?
The InChIKey is NSFDLSASQKBZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-17-13-5-3-11(8-18-13)19-14(20)7-9-6-10(15)2-4-12(9)16/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide?
2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide has a molecular weight of 338.18 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 115274693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).