2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

C12H13BrF3NO2 — CID 106853406

IUPAC2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1ccoc1Br
InChIInChI=1S/C12H13BrF3NO2/c1-7(8-2-3-8)17(6-12(14,15)16)11(18)9-4-5-19-10(9)13/h4-5,7-8H,2-3,6H2,1H3
InChIKeySFEQUPRSBZYAHW-UHFFFAOYSA-N
MW340.14 g/mol
LogP3.85
Rot. Bonds4

About 2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 106853406) has the molecular formula C12H13BrF3NO2 and a molecular weight of 340.14 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID106853406
Molecular FormulaC12H13BrF3NO2
Molecular Weight340.14 g/mol
Exact Mass339.01
IUPAC Name2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1ccoc1Br
InChIInChI=1S/C12H13BrF3NO2/c1-7(8-2-3-8)17(6-12(14,15)16)11(18)9-4-5-19-10(9)13/h4-5,7-8H,2-3,6H2,1H3
InChIKeySFEQUPRSBZYAHW-UHFFFAOYSA-N
XLogP3.85
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629066
N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105380482
3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629074
N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 60715950
2-amino-N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 63110222
2-amino-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106833
N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 95280380
3,5-diamino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106090
N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60716731
N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
CID 71900831
N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60717510
3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 60716732

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 106853406) is 2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is SFEQUPRSBZYAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO2/c1-7(8-2-3-8)17(6-12(14,15)16)11(18)9-4-5-19-10(9)13/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 340.14 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 106853406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).