N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide

C14H14BrFN2OS — CID 43778951

IUPACN-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(C)c2sccc2Br)c1
InChIInChI=1S/C14H14BrFN2OS/c1-8(14-11(15)5-6-20-14)17-13-7-10(18-9(2)19)3-4-12(13)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyPJFIJFPILXCAGN-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.78
Rot. Bonds4

About N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide

N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide (PubChem CID 43778951) has the molecular formula C14H14BrFN2OS and a molecular weight of 357.25 g/mol. Its IUPAC name is N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide
PubChem CID43778951
Molecular FormulaC14H14BrFN2OS
Molecular Weight357.25 g/mol
Exact Mass356.00
IUPAC NameN-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(C)c2sccc2Br)c1
InChIInChI=1S/C14H14BrFN2OS/c1-8(14-11(15)5-6-20-14)17-13-7-10(18-9(2)19)3-4-12(13)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyPJFIJFPILXCAGN-UHFFFAOYSA-N
XLogP4.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide (CID 43778951) is N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NC(C)c2sccc2Br)c1.
What is the InChIKey of N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide?
The InChIKey is PJFIJFPILXCAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2OS/c1-8(14-11(15)5-6-20-14)17-13-7-10(18-9(2)19)3-4-12(13)16/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide?
N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide has a molecular weight of 357.25 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 43778951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).