2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide

C9H10BrF3N2O2 — CID 104653438

IUPAC2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(NCC(F)(F)F)(C(N)=O)c1ccc(Br)o1
InChIInChI=1S/C9H10BrF3N2O2/c1-8(7(14)16,15-4-9(11,12)13)5-2-3-6(10)17-5/h2-3,15H,4H2,1H3,(H2,14,16)
InChIKeyULRKPJAMVVMPDC-UHFFFAOYSA-N
MW315.09 g/mol
LogP1.89
Rot. Bonds4

About 2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide

2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 104653438) has the molecular formula C9H10BrF3N2O2 and a molecular weight of 315.09 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID104653438
Molecular FormulaC9H10BrF3N2O2
Molecular Weight315.09 g/mol
Exact Mass313.99
IUPAC Name2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(NCC(F)(F)F)(C(N)=O)c1ccc(Br)o1
InChIInChI=1S/C9H10BrF3N2O2/c1-8(7(14)16,15-4-9(11,12)13)5-2-3-6(10)17-5/h2-3,15H,4H2,1H3,(H2,14,16)
InChIKeyULRKPJAMVVMPDC-UHFFFAOYSA-N
XLogP1.89
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromofuran-2-yl)-2-(cyclopropylmethylamino)propanamide
CID 104653364
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 104653361
2-(5-bromofuran-2-yl)-2-(cyclopropylamino)propanamide
CID 104653342
2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 54892605
2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 54892842
3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 114831963
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
CID 107093925
2-(4-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60997738
ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate
CID 104653374
2-(5-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 104653465
ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
CID 113437629
2-(5-bromofuran-2-yl)propan-2-ol
CID 66520373

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of 2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide (CID 104653438) is 2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide is CC(NCC(F)(F)F)(C(N)=O)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is ULRKPJAMVVMPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O2/c1-8(7(14)16,15-4-9(11,12)13)5-2-3-6(10)17-5/h2-3,15H,4H2,1H3,(H2,14,16).
What are the key properties of 2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide?
2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 315.09 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 104653438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).