5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide

C14H13BrFN3O — CID 115274798

IUPAC5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide
SMILESCCNc1ccc(NC(=O)c2cc(Br)ccc2F)cn1
InChIInChI=1S/C14H13BrFN3O/c1-2-17-13-6-4-10(8-18-13)19-14(20)11-7-9(15)3-5-12(11)16/h3-8H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyAAXWODYZALSUIN-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.67
Rot. Bonds4

About 5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide

5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 115274798) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide
PubChem CID115274798
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide
SMILESCCNc1ccc(NC(=O)c2cc(Br)ccc2F)cn1
InChIInChI=1S/C14H13BrFN3O/c1-2-17-13-6-4-10(8-18-13)19-14(20)11-7-9(15)3-5-12(11)16/h3-8H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyAAXWODYZALSUIN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 78929857
5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 113267905
5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 62167609
5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
CID 104856789
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
2-(5-bromo-2-fluorophenyl)-N-[6-(methylamino)-3-pyridinyl]acetamide
CID 115274693
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 63501333

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide (CID 115274798) is 5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide is CCNc1ccc(NC(=O)c2cc(Br)ccc2F)cn1.
What is the InChIKey of 5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is AAXWODYZALSUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-2-17-13-6-4-10(8-18-13)19-14(20)11-7-9(15)3-5-12(11)16/h3-8H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide?
5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[6-(ethylamino)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 115274798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).