2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide

C13H12BrFN2OS — CID 54891133

IUPAC2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCc1cccs1)c1cc(Br)ccc1F
InChIInChI=1S/C13H12BrFN2OS/c14-8-3-4-11(15)10(6-8)12(13(16)18)17-7-9-2-1-5-19-9/h1-6,12,17H,7H2,(H2,16,18)
InChIKeyCISZGSVLCMVXRX-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.97
Rot. Bonds5

About 2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide

2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide (PubChem CID 54891133) has the molecular formula C13H12BrFN2OS and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
PubChem CID54891133
Molecular FormulaC13H12BrFN2OS
Molecular Weight343.22 g/mol
Exact Mass341.98
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCc1cccs1)c1cc(Br)ccc1F
InChIInChI=1S/C13H12BrFN2OS/c14-8-3-4-11(15)10(6-8)12(13(16)18)17-7-9-2-1-5-19-9/h1-6,12,17H,7H2,(H2,16,18)
InChIKeyCISZGSVLCMVXRX-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887098
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 66480373
2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 114453595
2-(2-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 60997221
methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 54894684
2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 66156659
2-(4-chloro-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 114843727
2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54890942
ethyl 2-(4-fluoro-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 62121692
methyl 2-(4-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 61345410
ethyl 2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 66156855
2-(5-bromo-2-fluorophenyl)-2-(4-fluoroanilino)acetamide
CID 61004958

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide (CID 54891133) is 2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide is NC(=O)C(NCc1cccs1)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The InChIKey is CISZGSVLCMVXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2OS/c14-8-3-4-11(15)10(6-8)12(13(16)18)17-7-9-2-1-5-19-9/h1-6,12,17H,7H2,(H2,16,18).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide has a molecular weight of 343.22 g/mol, XLogP of 2.97, 5 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)-2-(thiophen-2-ylmethylamino)acetamide is sourced from PubChem (CID 54891133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).