2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide

C14H14BrFN2OS — CID 106046896

IUPAC2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNCCc1ccc(Br)s1)Nc1cccc(F)c1
InChIInChI=1S/C14H14BrFN2OS/c15-13-5-4-12(20-13)6-7-17-9-14(19)18-11-3-1-2-10(16)8-11/h1-5,8,17H,6-7,9H2,(H,18,19)
InChIKeyKWRYUMUONDXZAH-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.42
Rot. Bonds6

About 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide

2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 106046896) has the molecular formula C14H14BrFN2OS and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide
PubChem CID106046896
Molecular FormulaC14H14BrFN2OS
Molecular Weight357.25 g/mol
Exact Mass356.00
IUPAC Name2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNCCc1ccc(Br)s1)Nc1cccc(F)c1
InChIInChI=1S/C14H14BrFN2OS/c15-13-5-4-12(20-13)6-7-17-9-14(19)18-11-3-1-2-10(16)8-11/h1-5,8,17H,6-7,9H2,(H,18,19)
InChIKeyKWRYUMUONDXZAH-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide
CID 106047194
2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9258950
N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
CID 113268571
N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 29271657
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
N-(3-fluorophenyl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 28583111
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide
CID 106401479
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
CID 55108758

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide (CID 106046896) is 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide is O=C(CNCCc1ccc(Br)s1)Nc1cccc(F)c1.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is KWRYUMUONDXZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2OS/c15-13-5-4-12(20-13)6-7-17-9-14(19)18-11-3-1-2-10(16)8-11/h1-5,8,17H,6-7,9H2,(H,18,19).
What are the key properties of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide?
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 357.25 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 106046896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).