2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide

C13H12BrFN2OS — CID 33216280

IUPAC2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1F)NCc1cccs1
InChIInChI=1S/C13H12BrFN2OS/c14-9-3-4-12(11(15)6-9)16-8-13(18)17-7-10-2-1-5-19-10/h1-6,16H,7-8H2,(H,17,18)
InChIKeyVAWMSOMTCSGVRV-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide

2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 33216280) has the molecular formula C13H12BrFN2OS and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID33216280
Molecular FormulaC13H12BrFN2OS
Molecular Weight343.22 g/mol
Exact Mass341.98
IUPAC Name2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1F)NCc1cccs1
InChIInChI=1S/C13H12BrFN2OS/c14-9-3-4-12(11(15)6-9)16-8-13(18)17-7-10-2-1-5-19-10/h1-6,16H,7-8H2,(H,17,18)
InChIKeyVAWMSOMTCSGVRV-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 33161762
2-(4-bromo-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688294
2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 30717585
2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 51199571
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718056
2-(3-chloroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 37474298
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056501
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide
CID 47113148
N-[4-fluoro-3-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 34079769

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide (CID 33216280) is 2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide is O=C(CNc1ccc(Br)cc1F)NCc1cccs1.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VAWMSOMTCSGVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2OS/c14-9-3-4-12(11(15)6-9)16-8-13(18)17-7-10-2-1-5-19-10/h1-6,16H,7-8H2,(H,17,18).
What are the key properties of 2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 343.22 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 33216280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).